#------------------------------------------------------------------------------
#$Date: 2021-09-06 15:28:42 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268935 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/81/7158191.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7158191
loop_
_publ_author_name
'Lodhi, Rajni'
'Prakash, Meher'
'Samanta, Sampak'
_publ_section_title
;
 Diastereoselective desymmetrization reactions of prochiral
 para-quinamines with cyclopropenes generated in situ: access to fused
 hydroindol-5-one scaffolds.
;
_journal_issue                   33
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              7129
_journal_page_last               7133
_journal_paper_doi               10.1039/d1ob01322j
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C32 H29 N O6 S'
_chemical_formula_sum            'C32 H29 N O6 S'
_chemical_formula_weight         555.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-06-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-07-05 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.658(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7889(3)
_cell_length_b                   23.8675(5)
_cell_length_c                   11.6684(5)
_cell_measurement_reflns_used    5163
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.0060
_cell_measurement_theta_min      4.5340
_cell_volume                     2752.14(17)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0309
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -58.00 -17.00   1.00   15.00    --    0.00 148.00  19.00   41
  2  ω    -53.00 -28.00   1.00   15.00    --    0.00 124.00-145.00   25
  3  ω     23.00 109.00   1.00   15.00    --   54.00-124.00 135.00   86
  4  ω     56.00  81.00   1.00   15.00    --   54.00-148.00 -29.00   25
  5  ω     54.00 116.00   1.00   15.00    --  108.00-124.00 135.00   62
  6  ω     62.00  87.00   1.00   15.00    --  108.00-148.00 -29.00   25
  7  ω     91.00 169.00   1.00   15.00    --  108.00 148.00  19.00   78
  8  ω    112.00 137.00   1.00   15.00    --  108.00 124.00-145.00   25
  9  ω    -19.00  26.00   1.00   15.00    --    0.00  57.00-120.00   45
 10  ω     19.00  50.00   1.00   15.00    --    0.00  57.00 -90.00   31
 11  ω     31.00  96.00   1.00   15.00    --   54.00  38.00  60.00   65
 12  ω      0.00  75.00   1.00   15.00    --   54.00 -57.00 -60.00   75
 13  ω     27.00 123.00   1.00   15.00    --   54.00  77.00-120.00   96
 14  ω     86.00 124.00   1.00   15.00    --  108.00  63.00   0.00   38
 15  ω    100.00 138.00   1.00   15.00    --  108.00 111.00 -30.00   38
 16  ω     41.00 130.00   1.00   15.00    --  108.00 -63.00  90.00   89
 17  ω     36.00 109.00   1.00   15.00    --  108.00-111.00 -30.00   73
 18  ω    127.00 174.00   1.00   15.00    --  108.00  63.00   0.00   47
 19  ω    122.00 174.00   1.00   15.00    --  108.00  63.00-120.00   52
 20  ω     86.00 176.00   1.00   15.00    --  108.00  63.00 -90.00   90
 21  ω    131.00 163.00   1.00   15.00    --  108.00  77.00 -60.00   32
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0166507000
_diffrn_orient_matrix_UB_12      -0.0641498000
_diffrn_orient_matrix_UB_13      0.0019228000
_diffrn_orient_matrix_UB_21      0.1389866000
_diffrn_orient_matrix_UB_22      0.0053102000
_diffrn_orient_matrix_UB_23      0.1102985000
_diffrn_orient_matrix_UB_31      -0.0685005000
_diffrn_orient_matrix_UB_32      -0.0049506000
_diffrn_orient_matrix_UB_33      0.0927736000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.0660
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            12957
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.223
_diffrn_reflns_theta_min         3.704
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.433
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_description       Block
_exptl_crystal_F_000             1108
_refine_diff_density_max         0.387
_refine_diff_density_min         -1.205
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.640
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         5159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.640
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.1028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2615
_refine_ls_wR_factor_ref         0.3020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3541
_reflns_number_total             5159
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob01322j2.cif
_cod_data_source_block           red1
_cod_depositor_comments          'Adding full bibliography for 7158191.cif.'
_cod_database_code               7158191
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C11 H10 N O'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 98.60
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00F(H00F)
2.b Secondary CH2 refined with riding coordinates:
 C00G(H00A,H00B), C00N(H00C,H00D), C00W(H00E,H00G)
2.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00O(H00O), C00Q(H00Q),
 C00R(H00R), C00S(H00S), C00U(H00U), C00V(H00V), C00X(H00X), C00Y(H00Y),
 C010(H010), C011(H011), C012(H012), C013(H013)
2.d Idealised Me refined as rotating group:
 C00Z(H00H,H00I,H00N), C014(H01A,H01B,H01C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.993
_oxdiff_exptl_absorpt_empirical_full_min 0.289
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S01 S 0.39292(10) 0.73623(4) 0.58304(12) 0.0560(4) Uani 1 1 d . . . . .
O002 O 0.2541(3) 0.72068(13) 0.5288(4) 0.0712(9) Uani 1 1 d . . . . .
O003 O 0.4566(3) 0.62791(14) 0.4560(4) 0.0690(9) Uani 1 1 d . . . . .
O004 O 0.4630(3) 0.75035(14) 0.5051(4) 0.0705(10) Uani 1 1 d . . . . .
O005 O 0.6639(3) 0.53329(14) 0.6946(4) 0.0837(12) Uani 1 1 d . . . . .
O006 O 0.6824(3) 0.62821(15) 0.5129(4) 0.0775(11) Uani 1 1 d . . . . .
N007 N 0.4808(3) 0.68516(14) 0.6725(4) 0.0532(9) Uani 1 1 d . . . . .
O008 O 0.4940(4) 0.47921(14) 0.8534(4) 0.0868(12) Uani 1 1 d . . . . .
C009 C 0.6683(4) 0.62589(17) 0.7720(5) 0.0567(11) Uani 1 1 d . . . . .
C00A C 0.5965(4) 0.66136(16) 0.6567(5) 0.0543(10) Uani 1 1 d . . . . .
C00B C 0.4056(4) 0.79426(16) 0.6811(5) 0.0536(10) Uani 1 1 d . . . . .
C00C C 0.4413(4) 0.64921(16) 0.7587(5) 0.0551(11) Uani 1 1 d . . . . .
C00D C 0.7330(4) 0.57065(18) 0.7591(5) 0.0639(13) Uani 1 1 d . . . . .
C00E C 0.5840(4) 0.63782(17) 0.5330(5) 0.0589(12) Uani 1 1 d . . . . .
C00F C 0.5821(4) 0.62781(16) 0.8501(5) 0.0549(11) Uani 1 1 d . . . . .
H00F H 0.621343 0.656020 0.915884 0.066 Uiso 1 1 calc R . . . .
C00G C 0.7313(4) 0.67954(17) 0.7532(5) 0.0589(11) Uani 1 1 d . . . . .
H00A H 0.732835 0.711250 0.805716 0.071 Uiso 1 1 calc R . . . .
H00B H 0.809164 0.676657 0.731839 0.071 Uiso 1 1 calc R . . . .
C00H C 0.8809(4) 0.56460(18) 0.8304(5) 0.0625(12) Uani 1 1 d . . . . .
C00I C 0.3693(4) 0.68228(17) 0.8261(5) 0.0580(11) Uani 1 1 d . . . . .
C00J C 0.5313(4) 0.81891(17) 0.7447(5) 0.0642(13) Uani 1 1 d . . . . .
H00J H 0.607026 0.805392 0.734386 0.077 Uiso 1 1 calc R . . . .
C00K C 0.3556(4) 0.60214(18) 0.6797(5) 0.0648(12) Uani 1 1 d . . . . .
H00K H 0.282767 0.611670 0.606089 0.078 Uiso 1 1 calc R . . . .
C00L C 0.4403(5) 0.72231(18) 0.9168(5) 0.0643(12) Uani 1 1 d . . . . .
H00L H 0.530211 0.729945 0.932627 0.077 Uiso 1 1 calc R . . . .
C00M C 0.2926(4) 0.81500(19) 0.6946(5) 0.0674(13) Uani 1 1 d . . . . .
H00M H 0.208312 0.798720 0.651273 0.081 Uiso 1 1 calc R . . . .
C00N C 0.5701(5) 0.57254(19) 0.9129(5) 0.0671(13) Uani 1 1 d . . . . .
H00C H 0.660166 0.557234 0.956664 0.081 Uiso 1 1 calc R . . . .
H00D H 0.534084 0.580826 0.974976 0.081 Uiso 1 1 calc R . . . .
C00O C 0.3769(5) 0.54820(19) 0.7079(6) 0.0703(14) Uani 1 1 d . . . . .
H00O H 0.323076 0.521839 0.650951 0.084 Uiso 1 1 calc R . . . .
C00P C 0.4832(5) 0.52861(19) 0.8265(5) 0.0683(13) Uani 1 1 d . . . . .
C00Q C 0.3058(5) 0.8599(2) 0.7724(6) 0.0741(15) Uani 1 1 d . . . . .
H00Q H 0.229442 0.874297 0.780067 0.089 Uiso 1 1 calc R . . . .
C00R C 0.2353(4) 0.6727(2) 0.8039(6) 0.0772(16) Uani 1 1 d . . . . .
H00R H 0.185972 0.646395 0.744139 0.093 Uiso 1 1 calc R . . . .
C00S C 0.9508(5) 0.5951(2) 0.9375(6) 0.0776(15) Uani 1 1 d . . . . .
H00S H 0.905284 0.621754 0.964059 0.093 Uiso 1 1 calc R . . . .
C00T C 0.4304(6) 0.88380(19) 0.8393(6) 0.0756(15) Uani 1 1 d . . . . .
C00U C 0.3784(6) 0.7505(2) 0.9829(6) 0.0796(16) Uani 1 1 d . . . . .
H00U H 0.426495 0.776776 1.043340 0.096 Uiso 1 1 calc R . . . .
C00V C 0.5428(5) 0.8633(2) 0.8228(6) 0.0743(15) Uani 1 1 d . . . . .
H00V H 0.626856 0.880005 0.865273 0.089 Uiso 1 1 calc R . . . .
C00W C 0.4372(6) 0.6049(2) 0.3349(6) 0.0811(15) Uani 1 1 d . . . . .
H00E H 0.356413 0.581797 0.303652 0.097 Uiso 1 1 calc R . . . .
H00G H 0.513851 0.581452 0.343143 0.097 Uiso 1 1 calc R . . . .
C00X C 0.9500(5) 0.5256(2) 0.7898(7) 0.0828(16) Uani 1 1 d . . . . .
H00X H 0.904492 0.504112 0.718674 0.099 Uiso 1 1 calc R . . . .
C00Y C 0.2453(6) 0.7395(2) 0.9588(7) 0.0863(19) Uani 1 1 d . . . . .
H00Y H 0.203821 0.758075 1.003974 0.104 Uiso 1 1 calc R . . . .
C00Z C 0.4235(6) 0.6518(3) 0.2440(6) 0.0927(18) Uani 1 1 d . . . . .
H00H H 0.407951 0.636346 0.163408 0.139 Uiso 1 1 calc GR . . . .
H00I H 0.505059 0.673587 0.273492 0.139 Uiso 1 1 calc GR . . . .
H00N H 0.348580 0.675245 0.237250 0.139 Uiso 1 1 calc GR . . . .
C010 C 0.1734(5) 0.7017(2) 0.8692(7) 0.090(2) Uani 1 1 d . . . . .
H010 H 0.082608 0.695334 0.852089 0.107 Uiso 1 1 calc R . . . .
C011 C 1.0879(5) 0.5866(3) 1.0059(7) 0.0906(18) Uani 1 1 d . . . . .
H011 H 1.132871 0.606279 1.079854 0.109 Uiso 1 1 calc R . . . .
C012 C 1.1569(5) 0.5495(2) 0.9650(7) 0.0887(18) Uani 1 1 d . . . . .
H012 H 1.249463 0.544687 1.009550 0.106 Uiso 1 1 calc R . . . .
C013 C 1.0895(6) 0.5192(3) 0.8579(8) 0.103(2) Uani 1 1 d . . . . .
H013 H 1.137275 0.493994 0.830217 0.124 Uiso 1 1 calc R . . . .
C014 C 0.4452(7) 0.9307(3) 0.9317(7) 0.103(2) Uani 1 1 d . . . . .
H01A H 0.363094 0.952192 0.903837 0.154 Uiso 1 1 calc GR . . . .
H01B H 0.518980 0.954573 0.937245 0.154 Uiso 1 1 calc GR . . . .
H01C H 0.462793 0.915033 1.012548 0.154 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O002 S01 O004 120.5(2) . . ?
O002 S01 N007 109.08(19) . . ?
O002 S01 C00B 106.69(19) . . ?
O004 S01 N007 105.12(17) . . ?
O004 S01 C00B 107.6(2) . . ?
N007 S01 C00B 107.2(2) . . ?
C00E O003 C00W 115.6(4) . . ?
C00A N007 S01 121.3(3) . . ?
C00A N007 C00C 110.5(3) . . ?
C00C N007 S01 127.0(2) . . ?
C00A C009 C00D 119.1(4) . . ?
C00A C009 C00F 107.1(3) . . ?
C00D C009 C00F 119.5(3) . . ?
C00G C009 C00A 59.6(3) . . ?
C00G C009 C00D 117.9(3) . . ?
C00G C009 C00F 118.4(3) . . ?
N007 C00A C009 105.4(3) . . ?
N007 C00A C00E 121.2(4) . . ?
N007 C00A C00G 114.6(4) . . ?
C00E C00A C009 117.5(3) . . ?
C00G C00A C009 60.0(3) . . ?
C00G C00A C00E 120.9(3) . . ?
C00J C00B S01 118.9(3) . . ?
C00M C00B S01 120.8(3) . . ?
C00M C00B C00J 120.3(4) . . ?
N007 C00C C00F 100.7(3) . . ?
N007 C00C C00I 112.8(3) . . ?
N007 C00C C00K 106.5(4) . . ?
C00I C00C C00F 112.1(4) . . ?
C00K C00C C00F 111.4(3) . . ?
C00K C00C C00I 112.6(3) . . ?
O005 C00D C009 120.3(4) . . ?
O005 C00D C00H 122.2(4) . . ?
C00H C00D C009 117.5(4) . . ?
O003 C00E C00A 112.7(3) . . ?
O006 C00E O003 126.3(5) . . ?
O006 C00E C00A 121.0(5) . . ?
C009 C00F C00C 105.0(4) . . ?
C00N C00F C009 116.2(3) . . ?
C00N C00F C00C 111.3(3) . . ?
C00A C00G C009 60.4(3) . . ?
C00S C00H C00D 122.1(4) . . ?
C00S C00H C00X 119.3(5) . . ?
C00X C00H C00D 118.6(5) . . ?
C00L C00I C00C 120.2(3) . . ?
C00R C00I C00C 121.8(5) . . ?
C00R C00I C00L 117.9(4) . . ?
C00V C00J C00B 119.5(4) . . ?
C00O C00K C00C 124.6(5) . . ?
C00U C00L C00I 120.9(4) . . ?
C00Q C00M C00B 119.5(4) . . ?
C00P C00N C00F 115.5(5) . . ?
C00K C00O C00P 122.2(5) . . ?
O008 C00P C00N 122.6(5) . . ?
O008 C00P C00O 120.6(5) . . ?
C00O C00P C00N 116.8(4) . . ?
C00M C00Q C00T 121.1(4) . . ?
C00I C00R C010 120.9(6) . . ?
C00H C00S C011 120.9(5) . . ?
C00Q C00T C00V 118.8(5) . . ?
C00Q C00T C014 120.6(4) . . ?
C00V C00T C014 120.5(5) . . ?
C00Y C00U C00L 119.5(6) . . ?
C00J C00V C00T 120.8(5) . . ?
O003 C00W C00Z 109.8(5) . . ?
C00H C00X C013 118.7(6) . . ?
C010 C00Y C00U 120.7(5) . . ?
C00Y C010 C00R 120.1(5) . . ?
C012 C011 C00S 120.1(7) . . ?
C011 C012 C013 119.9(5) . . ?
C012 C013 C00X 121.0(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S01 O002 1.421(3) . ?
S01 O004 1.437(3) . ?
S01 N007 1.637(3) . ?
S01 C00B 1.766(4) . ?
O003 C00E 1.327(5) . ?
O003 C00W 1.451(6) . ?
O005 C00D 1.211(6) . ?
O006 C00E 1.197(5) . ?
N007 C00A 1.449(4) . ?
N007 C00C 1.508(5) . ?
O008 C00P 1.213(5) . ?
C009 C00A 1.513(6) . ?
C009 C00D 1.527(5) . ?
C009 C00F 1.542(5) . ?
C009 C00G 1.506(5) . ?
C00A C00E 1.504(7) . ?
C00A C00G 1.502(6) . ?
C00B C00J 1.389(6) . ?
C00B C00M 1.382(5) . ?
C00C C00F 1.551(6) . ?
C00C C00I 1.529(5) . ?
C00C C00K 1.511(6) . ?
C00D C00H 1.481(6) . ?
C00F C00N 1.539(6) . ?
C00H C00S 1.380(8) . ?
C00H C00X 1.390(6) . ?
C00I C00L 1.403(7) . ?
C00I C00R 1.382(5) . ?
C00J C00V 1.371(7) . ?
C00K C00O 1.326(6) . ?
C00L C00U 1.381(6) . ?
C00M C00Q 1.374(7) . ?
C00N C00P 1.495(7) . ?
C00O C00P 1.475(7) . ?
C00Q C00T 1.378(7) . ?
C00R C010 1.384(7) . ?
C00S C011 1.385(7) . ?
C00T C00V 1.391(6) . ?
C00T C014 1.518(7) . ?
C00U C00Y 1.373(8) . ?
C00W C00Z 1.508(8) . ?
C00X C013 1.400(7) . ?
C00Y C010 1.363(9) . ?
C011 C012 1.360(8) . ?
C012 C013 1.373(9) . ?
