#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:15:29 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/94/7059411.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_7059411
loop_
_publ_author_name
'Mukherjee, Atasi'
'Chakravarty, Manab'
_publ_section_title
;
 Regioisomeric monopyridine-functionalized triarylethene: small AIEgens
 with isomeric effect and an efficient platform for the selective and
 sensitive detection of Pd2+ and Fe3+
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6173
_journal_page_last               6181
_journal_paper_doi               10.1039/D0NJ00306A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C35 H25 N'
_chemical_formula_sum            'C35 H25 N'
_chemical_formula_weight         459.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-10-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-01-14 deposited with the CCDC.	2020-03-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.747(3)
_cell_angle_beta                 91.108(3)
_cell_angle_gamma                106.582(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6570(2)
_cell_length_b                   10.3364(3)
_cell_length_c                   15.7530(6)
_cell_measurement_reflns_used    5396
_cell_measurement_temperature    293
_cell_measurement_theta_max      29.6300
_cell_measurement_theta_min      3.7290
_cell_volume                     1194.49(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_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_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      5.00  87.00   0.50   35.00    --    0.00  57.00 -60.00  164
  2  ω    -21.00  17.00   0.50   35.00    --    0.00 -19.00-120.00   76
  3  ω    -15.00  83.00   0.50   35.00    --    0.00  37.00  60.00  196
  4  ω     13.00  69.00   0.50   35.00    --    0.00  37.00 150.00  112
  5  ω    -11.00  84.00   0.50   35.00    --    0.00  37.00-150.00  190
  6  ω    -88.00 -50.00   0.50   35.00    --    0.00 -77.00 120.00   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0127020000
_diffrn_orient_matrix_UB_12      0.0124721000
_diffrn_orient_matrix_UB_13      0.0443983000
_diffrn_orient_matrix_UB_21      -0.0141914000
_diffrn_orient_matrix_UB_22      -0.0699765000
_diffrn_orient_matrix_UB_23      0.0065385000
_diffrn_orient_matrix_UB_31      0.0947877000
_diffrn_orient_matrix_UB_32      0.0087214000
_diffrn_orient_matrix_UB_33      -0.0038654000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.884
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18383
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.884
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.722
_diffrn_reflns_theta_min         3.206
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.20a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.208
_refine_diff_density_min         -0.378
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1079
_refine_ls_R_factor_gt           0.0857
_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)+(0.0956P)²+2.3169P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2164
_refine_ls_wR_factor_ref         0.2320
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4561
_reflns_number_total             6007
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj00306a2.cif
_cod_data_source_block           exp_379-np3py
_cod_depositor_comments
;Adding full bibliography for 7059411--7059412.cif.

 Adding full bibliography for 7059411--7059412.cif.
;
_cod_database_code               7059411
_shelx_shelxl_version_number     2016/4
_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   0.996
_shelx_estimated_absorpt_t_min   0.985
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C005(H005), C006(H006), C007(H007), C00C(H00C), C00D(H00D), C00E(H00E),
 C00G(H00G), C00H(H00H), C00I(H00I), C00J(H00J), C00K(H00K), C00N(H00N),
 C00O(H00O), C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T),
 C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z),
 C010(H010)
;
_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 1.060
_oxdiff_exptl_absorpt_empirical_full_min 0.948
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
C001 C 0.1399(3) 0.9500(2) 0.79817(14) 0.0205(5) Uani 1 1 d . . . . .
N002 N -0.2588(5) -0.2573(3) 0.56996(16) 0.0456(7) Uani 1 1 d . . . . .
C003 C -0.2225(3) -0.0203(2) 0.54295(15) 0.0212(5) Uani 1 1 d . . . . .
C004 C -0.1622(3) 0.1221(2) 0.57413(14) 0.0212(5) Uani 1 1 d . . . . .
C005 C -0.1009(4) 0.7297(3) 0.79620(15) 0.0243(5) Uani 1 1 d . . . . .
H005 H -0.142321 0.638036 0.782631 0.029 Uiso 1 1 calc R . . . .
C006 C 0.3821(4) 0.8329(3) 0.72418(16) 0.0246(5) Uani 1 1 d . . . . .
H006 H 0.465623 0.793395 0.700904 0.030 Uiso 1 1 calc R . . . .
C007 C 0.3648(4) 0.4533(3) 0.89906(15) 0.0248(5) Uani 1 1 d . . . . .
H007 H 0.348360 0.442939 0.957184 0.030 Uiso 1 1 calc R . . . .
C008 C 0.6000(4) 0.3288(2) 0.90876(15) 0.0243(5) Uani 1 1 d . . . . .
C009 C 0.4920(4) 0.4013(2) 0.85916(15) 0.0248(5) Uani 1 1 d . . . . .
C00A C 0.2817(4) 0.5339(2) 0.76489(16) 0.0269(5) Uani 1 1 d . . . . .
C00B C -0.0372(4) 0.3959(3) 0.63502(16) 0.0262(5) Uani 1 1 d . . . . .
C00C C 0.2623(4) 0.5204(3) 0.85277(16) 0.0262(5) Uani 1 1 d . . . . .
H00C H 0.180211 0.556540 0.880374 0.031 Uiso 1 1 calc R . . . .
C00D C 0.8046(4) 0.1945(3) 1.00437(17) 0.0301(6) Uani 1 1 d . . . . .
H00D H 0.872590 0.149686 1.035783 0.036 Uiso 1 1 calc R . . . .
C00E C 0.6211(4) 0.1731(3) 1.01984(16) 0.0296(6) Uani 1 1 d . . . . .
H00E H 0.565847 0.114028 1.061896 0.035 Uiso 1 1 calc R . . . .
C00F C 0.0845(4) 0.8092(3) 0.77557(15) 0.0276(6) Uani 1 1 d . . . . .
C00G C -0.3267(4) -0.2877(3) 0.49213(17) 0.0301(6) Uani 1 1 d . . . . .
H00G H -0.362413 -0.377751 0.474399 0.036 Uiso 1 1 calc R . . . .
C00H C 0.5192(4) 0.2399(3) 0.97256(16) 0.0280(5) Uani 1 1 d . . . . .
H00H H 0.396248 0.225305 0.983453 0.034 Uiso 1 1 calc R . . . .
C00I C 0.3163(4) 1.0314(3) 0.78121(17) 0.0328(6) Uani 1 1 d . . . . .
H00I H 0.350583 1.123217 0.794741 0.039 Uiso 1 1 calc R . . . .
C00J C 0.5178(4) 0.4211(3) 0.77145(16) 0.0311(6) Uani 1 1 d . . . . .
H00J H 0.605400 0.390188 0.744286 0.037 Uiso 1 1 calc R . . . .
C00K C 0.4420(4) 0.9709(3) 0.74289(17) 0.0324(6) Uani 1 1 d . . . . .
H00K H 0.559770 1.021877 0.730811 0.039 Uiso 1 1 calc R . . . .
C00L C 0.1661(4) 0.6028(3) 0.71712(16) 0.0269(5) Uani 1 1 d . . . . .
C00M C 0.2114(4) 0.7515(3) 0.73725(16) 0.0260(5) Uani 1 1 d . . . . .
C00N C -0.2106(4) 0.7932(3) 0.83554(17) 0.0323(6) Uani 1 1 d . . . . .
H00N H -0.328251 0.742293 0.847852 0.039 Uiso 1 1 calc R . . . .
C00O C 0.0119(4) 1.0041(3) 0.83972(17) 0.0333(6) Uani 1 1 d . . . . .
H00O H 0.047128 1.095443 0.854601 0.040 Uiso 1 1 calc R . . . .
C00P C -0.0725(4) 0.1571(3) 0.65231(17) 0.0348(7) Uani 1 1 d . . . . .
H00P H -0.052347 0.089072 0.685784 0.042 Uiso 1 1 calc R . . . .
C00Q C 0.0301(4) 0.5409(3) 0.66124(16) 0.0301(6) Uani 1 1 d . . . . .
H00Q H -0.029912 0.597229 0.635545 0.036 Uiso 1 1 calc R . . . .
C00R C 0.4130(4) 0.4864(3) 0.72540(16) 0.0321(6) Uani 1 1 d . . . . .
H00R H 0.430678 0.498512 0.667473 0.039 Uiso 1 1 calc R . . . .
C00S C 0.7848(4) 0.3496(3) 0.89448(19) 0.0345(6) Uani 1 1 d . . . . .
H00S H 0.841231 0.408695 0.852676 0.041 Uiso 1 1 calc R . . . .
C00T C 0.8858(4) 0.2826(3) 0.9422(2) 0.0365(6) Uani 1 1 d . . . . .
H00T H 1.009133 0.297521 0.931979 0.044 Uiso 1 1 calc R . . . .
C00U C -0.0120(5) 0.2890(3) 0.68225(17) 0.0362(7) Uani 1 1 d . . . . .
H00U H 0.046811 0.306946 0.735122 0.043 Uiso 1 1 calc R . . . .
C00V C -0.2947(5) -0.0566(3) 0.46216(19) 0.0419(8) Uani 1 1 d . . . . .
H00V H -0.308515 0.009286 0.425105 0.050 Uiso 1 1 calc R . . . .
C00W C -0.2093(5) -0.1266(3) 0.59355(19) 0.0445(8) Uani 1 1 d . . . . .
H00W H -0.162050 -0.105088 0.648441 0.053 Uiso 1 1 calc R . . . .
C00X C -0.1584(4) 0.9294(3) 0.85863(18) 0.0356(6) Uani 1 1 d . . . . .
H00X H -0.238110 0.968015 0.886228 0.043 Uiso 1 1 calc R . . . .
C00Y C -0.1946(5) 0.2275(3) 0.5286(2) 0.0472(9) Uani 1 1 d . . . . .
H00Y H -0.257963 0.208890 0.476842 0.057 Uiso 1 1 calc R . . . .
C00Z C -0.3467(5) -0.1915(3) 0.4362(2) 0.0484(9) Uani 1 1 d . . . . .
H00Z H -0.394366 -0.216388 0.381744 0.058 Uiso 1 1 calc R . . . .
C010 C -0.1343(6) 0.3603(3) 0.5587(2) 0.0492(9) Uani 1 1 d . . . . .
H010 H -0.159980 0.427728 0.526517 0.059 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 0.0033 0.0016 '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 0.0061 0.0033 '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
C00I C001 C00F 120.9(2) . . ?
C00I C001 C00O 121.1(2) . . ?
C00O C001 C00F 118.0(2) . . ?
C00G N002 C00W 117.1(3) . . ?
C00V C003 C004 122.7(2) . . ?
C00V C003 C00W 115.4(2) . . ?
C00W C003 C004 121.9(2) . . ?
C00P C004 C003 121.4(2) . . ?
C00Y C004 C003 122.7(2) . . ?
C00Y C004 C00P 115.9(2) . . ?
C00F C005 H005 120.8 . . ?
C00N C005 H005 120.8 . . ?
C00N C005 C00F 118.5(2) . . ?
C00K C006 H006 117.4 . . ?
C00M C006 H006 117.4 . . ?
C00M C006 C00K 125.2(3) . . ?
C009 C007 H007 119.7 . . ?
C00C C007 H007 119.7 . . ?
C00C C007 C009 120.6(2) . . ?
C00H C008 C009 120.7(2) . . ?
C00S C008 C009 121.0(2) . . ?
C00S C008 C00H 118.3(2) . . ?
C007 C009 C008 120.4(2) . . ?
C007 C009 C00J 118.7(2) . . ?
C00J C009 C008 120.9(2) . . ?
C00C C00A C00L 119.0(2) . . ?
C00R C00A C00C 118.9(2) . . ?
C00R C00A C00L 122.0(2) . . ?
C00U C00B C00Q 124.8(2) . . ?
C010 C00B C00Q 119.4(2) . . ?
C010 C00B C00U 115.8(3) . . ?
C007 C00C C00A 120.5(3) . . ?
C007 C00C H00C 119.7 . . ?
C00A C00C H00C 119.7 . . ?
C00E C00D H00D 120.2 . . ?
C00T C00D H00D 120.2 . . ?
C00T C00D C00E 119.7(3) . . ?
C00D C00E H00E 119.9 . . ?
C00D C00E C00H 120.1(3) . . ?
C00H C00E H00E 119.9 . . ?
C001 C00F C005 118.0(2) . . ?
C00M C00F C001 119.2(2) . . ?
C00M C00F C005 122.8(2) . . ?
N002 C00G H00G 118.7 . . ?
N002 C00G C00Z 122.7(3) . . ?
C00Z C00G H00G 118.7 . . ?
C008 C00H H00H 119.6 . . ?
C00E C00H C008 120.7(3) . . ?
C00E C00H H00H 119.6 . . ?
C001 C00I H00I 120.5 . . ?
C001 C00I C00K 118.9(2) . . ?
C00K C00I H00I 120.5 . . ?
C009 C00J H00J 119.9 . . ?
C00R C00J C009 120.3(3) . . ?
C00R C00J H00J 119.9 . . ?
C006 C00K C00I 117.7(3) . . ?
C006 C00K H00K 121.2 . . ?
C00I C00K H00K 121.2 . . ?
C00A C00L C00M 113.5(2) . . ?
C00Q C00L C00A 124.8(2) . . ?
C00Q C00L C00M 121.7(2) . . ?
C006 C00M C00F 118.1(2) . . ?
C006 C00M C00L 119.9(2) . . ?
C00F C00M C00L 121.9(2) . . ?
C005 C00N H00N 117.9 . . ?
C005 C00N C00X 124.3(3) . . ?
C00X C00N H00N 117.9 . . ?
C001 C00O H00O 118.3 . . ?
C00X C00O C001 123.3(3) . . ?
C00X C00O H00O 118.3 . . ?
C004 C00P H00P 118.7 . . ?
C00U C00P C004 122.6(2) . . ?
C00U C00P H00P 118.7 . . ?
C00B C00Q H00Q 115.3 . . ?
C00L C00Q C00B 129.4(2) . . ?
C00L C00Q H00Q 115.3 . . ?
C00A C00R H00R 119.6 . . ?
C00J C00R C00A 120.8(2) . . ?
C00J C00R H00R 119.6 . . ?
C008 C00S H00S 119.7 . . ?
C00T C00S C008 120.6(3) . . ?
C00T C00S H00S 119.7 . . ?
C00D C00T C00S 120.6(3) . . ?
C00D C00T H00T 119.7 . . ?
C00S C00T H00T 119.7 . . ?
C00B C00U H00U 119.2 . . ?
C00P C00U C00B 121.6(2) . . ?
C00P C00U H00U 119.2 . . ?
C003 C00V H00V 120.0 . . ?
C003 C00V C00Z 120.0(3) . . ?
C00Z C00V H00V 120.0 . . ?
N002 C00W C003 125.6(3) . . ?
N002 C00W H00W 117.2 . . ?
C003 C00W H00W 117.2 . . ?
C00N C00X H00X 121.0 . . ?
C00O C00X C00N 118.0(3) . . ?
C00O C00X H00X 121.0 . . ?
C004 C00Y H00Y 119.2 . . ?
C004 C00Y C010 121.5(3) . . ?
C010 C00Y H00Y 119.2 . . ?
C00G C00Z C00V 119.2(3) . . ?
C00G C00Z H00Z 120.4 . . ?
C00V C00Z H00Z 120.4 . . ?
C00B C010 H010 118.8 . . ?
C00Y C010 C00B 122.4(3) . . ?
C00Y C010 H010 118.8 . . ?
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
C001 C00F 1.433(3) . ?
C001 C00I 1.406(4) . ?
C001 C00O 1.425(4) . ?
N002 C00G 1.320(4) . ?
N002 C00W 1.340(4) . ?
C003 C004 1.485(3) . ?
C003 C00V 1.381(4) . ?
C003 C00W 1.391(4) . ?
C004 C00P 1.391(3) . ?
C004 C00Y 1.390(4) . ?
C005 H005 0.9300 . ?
C005 C00F 1.468(4) . ?
C005 C00N 1.358(4) . ?
C006 H006 0.9300 . ?
C006 C00K 1.394(4) . ?
C006 C00M 1.359(4) . ?
C007 H007 0.9300 . ?
C007 C009 1.395(4) . ?
C007 C00C 1.389(3) . ?
C008 C009 1.483(3) . ?
C008 C00H 1.400(4) . ?
C008 C00S 1.392(4) . ?
C009 C00J 1.409(3) . ?
C00A C00C 1.400(4) . ?
C00A C00L 1.485(3) . ?
C00A C00R 1.392(4) . ?
C00B C00Q 1.490(4) . ?
C00B C00U 1.396(4) . ?
C00B C010 1.390(4) . ?
C00C H00C 0.9300 . ?
C00D H00D 0.9300 . ?
C00D C00E 1.386(4) . ?
C00D C00T 1.378(4) . ?
C00E H00E 0.9300 . ?
C00E C00H 1.392(4) . ?
C00F C00M 1.416(4) . ?
C00G H00G 0.9300 . ?
C00G C00Z 1.375(4) . ?
C00H H00H 0.9300 . ?
C00I H00I 0.9300 . ?
C00I C00K 1.427(4) . ?
C00J H00J 0.9300 . ?
C00J C00R 1.387(4) . ?
C00K H00K 0.9300 . ?
C00L C00M 1.504(4) . ?
C00L C00Q 1.356(4) . ?
C00N H00N 0.9300 . ?
C00N C00X 1.391(4) . ?
C00O H00O 0.9300 . ?
C00O C00X 1.353(4) . ?
C00P H00P 0.9300 . ?
C00P C00U 1.382(4) . ?
C00Q H00Q 0.9300 . ?
C00R H00R 0.9300 . ?
C00S H00S 0.9300 . ?
C00S C00T 1.392(4) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00V H00V 0.9300 . ?
C00V C00Z 1.390(4) . ?
C00W H00W 0.9300 . ?
C00X H00X 0.9300 . ?
C00Y H00Y 0.9300 . ?
C00Y C010 1.390(4) . ?
C00Z H00Z 0.9300 . ?
C010 H010 0.9300 . ?
