#------------------------------------------------------------------------------
#$Date: 2022-06-10 00:56:51 +0300 (Fri, 10 Jun 2022) $
#$Revision: 275943 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/02/7130219.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_7130219
loop_
_publ_author_name
'Yu, Shaoze'
'Shen, Guosong'
'He, Faqian'
'Yang, Xiaoyu'
_publ_section_title
;
 Asymmetric synthesis of planar-chiral macrocycles via organocatalyzed
 enantioselective macrocyclization
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01690G
_journal_year                    2022
_chemical_formula_moiety         'C42 H49 N O3'
_chemical_formula_sum            'C42 H49 N O3'
_chemical_formula_weight         615.82
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-05-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-03-21 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9530(2)
_cell_length_b                   11.3417(2)
_cell_length_c                   28.7781(5)
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    150
_cell_measurement_theta_max      79.38
_cell_measurement_theta_min      3.07
_cell_volume                     3574.98(11)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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      150.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            72241
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         79.463
_diffrn_reflns_theta_min         3.071
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  0.7543
_exptl_absorpt_correction_T_min  0.6684
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1271 before and 0.0513 after correction.
The Ratio of minimum to maximum transmission is 0.8861.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.223
_refine_diff_density_min         -0.144
_refine_diff_density_rms         0.029
_refine_ls_abs_structure_details
;
 Flack x determined using 3288 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         7699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0372P)²+0.4945P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0741
_reflns_Friedel_coverage         0.773
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.983
_reflns_number_gt                7602
_reflns_number_total             7699
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc01690g2.cif
_cod_data_source_block           cu_yxy_0507_0m
_cod_database_code               7130219
_shelxl_version_number           2013-2
_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.
;
_shelx_estimated_absorpt_t_max   0.947
_shelx_estimated_absorpt_t_min   0.875
_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 Secondary CH2 refined with riding coordinates:
 C00G(H00A,H00B), C00P(H00G,H00I), C00R(H00L,H00M), C00S(H00N,H00P), C00V(H00V,
 H00W), C00X(H00Z,HA), C014(H01D,H01E), C016(H01F,H01G), C019(H01K,H01L),
 C01A(H01M,H01N)
2.b Aromatic/amide H refined with riding coordinates:
 C005(H005), C00C(H00C), C00H(H00H), C00J(H00J), C00K(H00K), C00O(H00O),
 C00Q(H00Q), C00U(H00U), C00Y(H00), C00Z(H0AA), C010(H010), C011(H011),
 C013(H013), C017(H017)
2.c Idealised Me refined as rotating group:
 C00L(H00D,H00E,H00F), C00T(H00R,H00S,H00T), C00W(H00X,H00Y,H), C012(H01A,H01B,
 H01C), C018(H01H,H01I,H01J)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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
O001 O -0.12245(9) 0.81121(10) 0.65866(4) 0.0313(2) Uani 1 1 d . . . . .
O002 O 0.04158(10) 0.51246(9) 0.50474(3) 0.0289(2) Uani 1 1 d . . . . .
O003 O 0.53494(9) 0.59055(10) 0.67426(4) 0.0330(2) Uani 1 1 d . . . . .
N004 N 0.04437(10) 0.69971(10) 0.64488(4) 0.0219(2) Uani 1 1 d . . . . .
C005 C 0.20744(13) 0.55807(11) 0.66211(5) 0.0231(3) Uani 1 1 d . . . . .
H005 H 0.1486 0.4966 0.6630 0.028 Uiso 1 1 calc R . . . .
C006 C 0.16998(12) 0.67313(11) 0.65517(4) 0.0211(3) Uani 1 1 d . . . . .
C007 C 0.33144(13) 0.53139(12) 0.66785(4) 0.0238(3) Uani 1 1 d . . . . .
C008 C -0.03508(12) 0.75892(11) 0.67471(5) 0.0227(3) Uani 1 1 d . . . . .
C009 C 0.17279(13) 0.97777(12) 0.63468(5) 0.0256(3) Uani 1 1 d . . . . .
C00A C 0.41802(12) 0.62369(13) 0.66618(5) 0.0246(3) Uani 1 1 d . . . . .
C00B C 0.21473(12) 0.88216(12) 0.64270(5) 0.0245(3) Uani 1 1 d . . . . .
C00C C 0.38022(13) 0.73866(12) 0.65811(5) 0.0251(3) Uani 1 1 d . . . . .
H00C H 0.4389 0.8003 0.6567 0.030 Uiso 1 1 calc R . . . .
C00D C 0.25602(13) 0.76454(12) 0.65196(5) 0.0227(3) Uani 1 1 d . . . . .
C00E C 0.37417(13) 0.41360(12) 0.67458(5) 0.0265(3) Uani 1 1 d . . . . .
C00F C 0.12178(14) 1.09064(12) 0.62324(5) 0.0254(3) Uani 1 1 d . . . . .
C00G C 0.04103(16) 0.63548(13) 0.51498(5) 0.0315(3) Uani 1 1 d . . . . .
H00A H -0.0423 0.6679 0.5113 0.038 Uiso 1 1 calc R . . . .
H00B H 0.0964 0.6780 0.4935 0.038 Uiso 1 1 calc R . . . .
C00H C 0.08317(14) 0.65002(13) 0.56393(5) 0.0294(3) Uani 1 1 d . . . . .
H00H H 0.1648 0.6291 0.5714 0.035 Uiso 1 1 calc R . . . .
C00I C -0.01992(13) 0.74479(12) 0.72784(5) 0.0253(3) Uani 1 1 d . . . . .
C00J C 0.01157(13) 0.69086(12) 0.59747(5) 0.0248(3) Uani 1 1 d . . . . .
H00J H -0.0680 0.7162 0.5890 0.030 Uiso 1 1 calc R . . . .
C00K C 0.19607(15) 1.18197(13) 0.60679(5) 0.0319(3) Uani 1 1 d . . . . .
H00K H 0.2818 1.1708 0.6044 0.038 Uiso 1 1 calc R . . . .
C00L C -0.12607(14) 0.81051(14) 0.75102(5) 0.0319(3) Uani 1 1 d . . . . .
H00D H -0.1220 0.8943 0.7429 0.048 Uiso 1 1 calc GR . . . .
H00E H -0.1203 0.8016 0.7848 0.048 Uiso 1 1 calc GR . . . .
H00F H -0.2037 0.7775 0.7402 0.048 Uiso 1 1 calc GR . . . .
C00M C 0.41824(13) 0.31844(13) 0.68102(5) 0.0279(3) Uani 1 1 d . . . . .
C00N C 0.47538(14) 0.20702(13) 0.69062(5) 0.0289(3) Uani 1 1 d . . . . .
C00O C -0.00402(14) 1.10945(13) 0.62722(5) 0.0306(3) Uani 1 1 d . . . . .
H00O H -0.0553 1.0485 0.6387 0.037 Uiso 1 1 calc R . . . .
C00P C 0.20160(16) 0.51092(15) 0.44546(5) 0.0368(4) Uani 1 1 d . . . . .
H00G H 0.2201 0.4812 0.4139 0.044 Uiso 1 1 calc R . . . .
H00I H 0.2093 0.5979 0.4447 0.044 Uiso 1 1 calc R . . . .
C00Q C 0.40710(16) 0.11157(14) 0.70665(5) 0.0338(3) Uani 1 1 d . . . . .
H00Q H 0.3212 0.1187 0.7103 0.041 Uiso 1 1 calc R . . . .
C00R C 0.65349(14) 0.63883(14) 0.60549(6) 0.0357(3) Uani 1 1 d . . . . .
H00L H 0.7192 0.6913 0.5941 0.043 Uiso 1 1 calc R . . . .
H00M H 0.5779 0.6587 0.5883 0.043 Uiso 1 1 calc R . . . .
C00S C 0.41717(16) 0.52839(15) 0.47887(6) 0.0373(3) Uani 1 1 d . . . . .
H00N H 0.4495 0.5303 0.4468 0.045 Uiso 1 1 calc R . . . .
H00P H 0.4026 0.6108 0.4888 0.045 Uiso 1 1 calc R . . . .
C00T C 0.10048(14) 0.79304(15) 0.74756(5) 0.0337(3) Uani 1 1 d . . . . .
H00R H 0.1679 0.7413 0.7383 0.050 Uiso 1 1 calc GR . . . .
H00S H 0.0955 0.7960 0.7815 0.050 Uiso 1 1 calc GR . . . .
H00T H 0.1148 0.8726 0.7354 0.050 Uiso 1 1 calc GR . . . .
C00U C 0.14432(18) 1.28881(14) 0.59394(6) 0.0393(4) Uani 1 1 d . . . . .
H00U H 0.1950 1.3505 0.5827 0.047 Uiso 1 1 calc R . . . .
C00V C 0.29679(15) 0.46191(15) 0.47918(6) 0.0371(3) Uani 1 1 d . . . . .
H00V H 0.2627 0.4640 0.5110 0.045 Uiso 1 1 calc R . . . .
H00W H 0.3127 0.3784 0.4712 0.045 Uiso 1 1 calc R . . . .
C00W C -0.03311(17) 0.61289(13) 0.73953(5) 0.0352(3) Uani 1 1 d . . . . .
H00X H -0.1081 0.5822 0.7255 0.053 Uiso 1 1 calc GR . . . .
H00Y H -0.0369 0.6029 0.7733 0.053 Uiso 1 1 calc GR . . . .
H H 0.0373 0.5697 0.7272 0.053 Uiso 1 1 calc GR . . . .
C00X C 0.63347(13) 0.66148(15) 0.65644(6) 0.0339(3) Uani 1 1 d . . . . .
H00Z H 0.7093 0.6432 0.6737 0.041 Uiso 1 1 calc R . . . .
HA H 0.6144 0.7459 0.6612 0.041 Uiso 1 1 calc R . . . .
C00Y C 0.60168(15) 0.19497(16) 0.68471(6) 0.0387(4) Uani 1 1 d . . . . .
H00 H 0.6488 0.2596 0.6738 0.046 Uiso 1 1 calc R . . . .
C00Z C 0.5895(2) -0.00547(16) 0.71126(6) 0.0465(5) Uani 1 1 d . . . . .
H0AA H 0.6285 -0.0781 0.7184 0.056 Uiso 1 1 calc R . . . .
C010 C 0.4650(2) 0.00616(14) 0.71733(6) 0.0430(4) Uani 1 1 d . . . . .
H010 H 0.4187 -0.0584 0.7289 0.052 Uiso 1 1 calc R . . . .
C011 C 0.02010(18) 1.30629(14) 0.59728(6) 0.0415(4) Uani 1 1 d . . . . .
H011 H -0.0146 1.3793 0.5879 0.050 Uiso 1 1 calc R . . . .
C012 C -0.01879(18) 0.53875(16) 0.42376(6) 0.0405(4) Uani 1 1 d . . . . .
H01A H -0.1030 0.5228 0.4334 0.061 Uiso 1 1 calc GR . . . .
H01B H -0.0057 0.5077 0.3924 0.061 Uiso 1 1 calc GR . . . .
H01C H -0.0044 0.6240 0.4239 0.061 Uiso 1 1 calc GR . . . .
C013 C -0.05419(16) 1.21733(15) 0.61436(6) 0.0379(4) Uani 1 1 d . . . . .
H013 H -0.1396 1.2301 0.6173 0.045 Uiso 1 1 calc R . . . .
C014 C 0.68835(15) 0.50990(15) 0.59513(6) 0.0392(4) Uani 1 1 d . . . . .
H01D H 0.7566 0.4869 0.6158 0.047 Uiso 1 1 calc R . . . .
H01E H 0.6179 0.4587 0.6026 0.047 Uiso 1 1 calc R . . . .
C015 C 0.06922(15) 0.47928(14) 0.45732(5) 0.0314(3) Uani 1 1 d . . . . .
C016 C 0.72606(17) 0.48793(18) 0.54476(7) 0.0480(4) Uani 1 1 d . . . . .
H01F H 0.8057 0.5268 0.5393 0.058 Uiso 1 1 calc R . . . .
H01G H 0.7381 0.4021 0.5404 0.058 Uiso 1 1 calc R . . . .
C017 C 0.65770(18) 0.08838(17) 0.69484(7) 0.0472(5) Uani 1 1 d . . . . .
H017 H 0.7432 0.0798 0.6905 0.057 Uiso 1 1 calc R . . . .
C018 C 0.04909(19) 0.34642(15) 0.45731(6) 0.0422(4) Uani 1 1 d . . . . .
H01H H 0.1021 0.3098 0.4806 0.063 Uiso 1 1 calc GR . . . .
H01I H 0.0686 0.3146 0.4265 0.063 Uiso 1 1 calc GR . . . .
H01J H -0.0364 0.3294 0.4647 0.063 Uiso 1 1 calc GR . . . .
C019 C 0.63665(17) 0.53109(18) 0.50833(6) 0.0438(4) Uani 1 1 d . . . . .
H01K H 0.6721 0.5167 0.4772 0.053 Uiso 1 1 calc R . . . .
H01L H 0.6264 0.6173 0.5119 0.053 Uiso 1 1 calc R . . . .
C01A C 0.51154(17) 0.47337(17) 0.51048(7) 0.0461(4) Uani 1 1 d . . . . .
H01M H 0.5202 0.3891 0.5022 0.055 Uiso 1 1 calc R . . . .
H01N H 0.4814 0.4773 0.5429 0.055 Uiso 1 1 calc R . . . .
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'
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
C00G O002 C015 116.75(11) . . ?
C00A O003 C00X 119.48(11) . . ?
C008 N004 C006 124.79(11) . . ?
C008 N004 C00J 117.99(11) . . ?
C00J N004 C006 115.25(11) . . ?
C006 C005 C007 120.57(12) . . ?
C005 C006 N004 120.74(12) . . ?
C005 C006 C00D 120.48(12) . . ?
C00D C006 N004 118.26(11) . . ?
C005 C007 C00A 119.10(12) . . ?
C005 C007 C00E 122.37(13) . . ?
C00A C007 C00E 118.52(13) . . ?
O001 C008 N004 119.45(12) . . ?
O001 C008 C00I 120.68(12) . . ?
N004 C008 C00I 119.46(11) . . ?
C00B C009 C00F 177.75(15) . . ?
O003 C00A C007 115.02(12) . . ?
O003 C00A C00C 124.85(13) . . ?
C00C C00A C007 120.10(13) . . ?
C009 C00B C00D 175.83(15) . . ?
C00A C00C C00D 120.47(13) . . ?
C006 C00D C00B 119.18(12) . . ?
C00C C00D C006 119.21(12) . . ?
C00C C00D C00B 121.61(12) . . ?
C00M C00E C007 175.13(16) . . ?
C00K C00F C009 120.76(14) . . ?
C00O C00F C009 120.04(13) . . ?
C00O C00F C00K 119.17(14) . . ?
O002 C00G C00H 107.58(12) . . ?
C00J C00H C00G 122.87(14) . . ?
C00L C00I C008 107.36(12) . . ?
C00L C00I C00T 108.48(12) . . ?
C00L C00I C00W 107.81(12) . . ?
C00T C00I C008 114.86(11) . . ?
C00T C00I C00W 110.23(13) . . ?
C00W C00I C008 107.86(11) . . ?
C00H C00J N004 125.18(13) . . ?
C00U C00K C00F 119.92(15) . . ?
C00E C00M C00N 176.90(16) . . ?
C00Q C00N C00M 120.85(14) . . ?
C00Q C00N C00Y 119.62(15) . . ?
C00Y C00N C00M 119.52(15) . . ?
C013 C00O C00F 120.08(15) . . ?
C00V C00P C015 114.75(13) . . ?
C010 C00Q C00N 119.80(16) . . ?
C00X C00R C014 112.76(14) . . ?
C01A C00S C00V 112.65(14) . . ?
C011 C00U C00K 120.67(16) . . ?
C00S C00V C00P 114.06(14) . . ?
O003 C00X C00R 111.16(13) . . ?
C017 C00Y C00N 119.77(18) . . ?
C010 C00Z C017 120.18(16) . . ?
C00Z C010 C00Q 120.36(18) . . ?
C00U C011 C013 119.96(15) . . ?
C011 C013 C00O 120.17(16) . . ?
C016 C014 C00R 113.92(15) . . ?
O002 C015 C00P 110.31(12) . . ?
O002 C015 C012 110.52(13) . . ?
O002 C015 C018 103.13(12) . . ?
C012 C015 C00P 110.74(13) . . ?
C012 C015 C018 110.28(14) . . ?
C018 C015 C00P 111.64(15) . . ?
C019 C016 C014 115.39(15) . . ?
C00Z C017 C00Y 120.25(18) . . ?
C016 C019 C01A 114.54(16) . . ?
C00S C01A C019 114.47(16) . . ?
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
O001 C008 1.2169(17) . ?
O002 C00G 1.4260(17) . ?
O002 C015 1.4475(17) . ?
O003 C00A 1.3548(17) . ?
O003 C00X 1.4405(19) . ?
N004 C006 1.4393(17) . ?
N004 C008 1.3947(17) . ?
N004 C00J 1.4142(17) . ?
C005 C006 1.3824(18) . ?
C005 C007 1.4012(19) . ?
C006 C00D 1.4041(18) . ?
C007 C00A 1.413(2) . ?
C007 C00E 1.4288(19) . ?
C008 C00I 1.5464(18) . ?
C009 C00B 1.200(2) . ?
C009 C00F 1.4351(19) . ?
C00A C00C 1.3877(19) . ?
C00B C00D 1.4336(19) . ?
C00C C00D 1.4028(19) . ?
C00E C00M 1.197(2) . ?
C00F C00K 1.400(2) . ?
C00F C00O 1.399(2) . ?
C00G C00H 1.492(2) . ?
C00H C00J 1.327(2) . ?
C00I C00L 1.5337(19) . ?
C00I C00T 1.536(2) . ?
C00I C00W 1.5401(19) . ?
C00K C00U 1.388(2) . ?
C00M C00N 1.4370(19) . ?
C00N C00Q 1.394(2) . ?
C00N C00Y 1.400(2) . ?
C00O C013 1.391(2) . ?
C00P C00V 1.529(2) . ?
C00P C015 1.532(2) . ?
C00Q C010 1.388(2) . ?
C00R C00X 1.505(2) . ?
C00R C014 1.540(2) . ?
C00S C00V 1.519(2) . ?
C00S C01A 1.512(3) . ?
C00U C011 1.378(3) . ?
C00Y C017 1.387(2) . ?
C00Z C010 1.381(3) . ?
C00Z C017 1.383(3) . ?
C011 C013 1.386(3) . ?
C012 C015 1.522(2) . ?
C014 C016 1.528(3) . ?
C015 C018 1.523(2) . ?
C016 C019 1.516(3) . ?
C019 C01A 1.520(3) . ?
