#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:57:38 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265925 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/05/1560599.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_1560599
loop_
_publ_author_name
'Liu, Tiantian'
'Chen, Xiaojie'
'Zhao, Juan'
'Wei, Weichun'
'Mao, Zhu'
'Wu, William'
'Jiao, Shibo'
'Liu, Yang'
'Yang, Zhiyong'
'Chi, Zhenguo'
_publ_section_title
;
 Hybridized local and charge-transfer excited state fluorophores enabling
 organic light-emitting diodes with record high efficiencies close to 20%
;
_journal_issue                   14
_journal_name_full               'Chemical Science'
_journal_page_first              5171
_journal_page_last               5176
_journal_paper_doi               10.1039/D1SC00272D
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C30 H18 N4 S'
_chemical_formula_sum            'C30 H18 N4 S'
_chemical_formula_weight         466.54
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc25vd0g
_audit_creation_date             2020-07-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-08-04 deposited with the CCDC.	2021-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   25.7763(5)
_cell_length_b                   25.7763(5)
_cell_length_c                   17.9852(4)
_cell_measurement_reflns_used    4085
_cell_measurement_temperature    149.99(14)
_cell_measurement_theta_max      73.9660
_cell_measurement_theta_min      4.6440
_cell_volume                     10348.7(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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_environment      N~2~
_diffrn_ambient_temperature      149.99(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00 -24.00   1.00    8.00    --  -41.14 -38.00 -60.00   91
  2  ω     35.00  91.00   1.00   30.00    --  107.79-125.00 -30.00   56
  3  ω     27.00  98.00   1.00   30.00    --  107.79 -94.00-180.00   71
  4  ω     39.00 142.00   1.00   30.00    --  107.79 -15.00  30.00  103
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0213124000
_diffrn_orient_matrix_UB_12      -0.0667861000
_diffrn_orient_matrix_UB_13      -0.0129502000
_diffrn_orient_matrix_UB_21      0.0395859000
_diffrn_orient_matrix_UB_22      0.0163196000
_diffrn_orient_matrix_UB_23      -0.0700064000
_diffrn_orient_matrix_UB_31      0.0523191000
_diffrn_orient_matrix_UB_32      0.0059250000
_diffrn_orient_matrix_UB_33      0.0476969000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7004
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.440
_diffrn_reflns_theta_min         4.663
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.456
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             4356
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0410
_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)+(0.0589P)²+3.6597P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1108
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3967
_reflns_number_total             4469
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc00272d2.cif
_cod_data_source_block           19072213
_cod_depositor_comments
'Adding full bibliography for 1560599--1560601.cif.'
_cod_original_cell_volume        10348.7(5)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1560599
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C H S N'
_chemical_oxdiff_usercomment     CzBCz
_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 99.08
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), 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)
;
_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 1.193
_oxdiff_exptl_absorpt_empirical_full_min 0.856
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
S001 S 0.59683(2) 0.52957(2) 0.49796(2) 0.02465(12) Uani 1 1 d . . . . .
N002 N 0.44242(6) 0.35862(6) 0.58985(7) 0.0235(3) Uani 1 1 d . . . . .
N003 N 0.52216(6) 0.41920(6) 0.28976(7) 0.0233(3) Uani 1 1 d . . . . .
N004 N 0.57948(6) 0.50236(6) 0.41511(7) 0.0229(3) Uani 1 1 d . . . . .
N005 N 0.54596(6) 0.47568(6) 0.54689(7) 0.0238(3) Uani 1 1 d . . . . .
C006 C 0.50089(6) 0.40578(6) 0.36414(7) 0.0204(3) Uani 1 1 d . . . . .
C007 C 0.51239(6) 0.43182(6) 0.49829(8) 0.0197(3) Uani 1 1 d . . . . .
C008 C 0.53177(6) 0.44741(6) 0.42245(8) 0.0197(3) Uani 1 1 d . . . . .
C009 C 0.46168(7) 0.37495(6) 0.51529(8) 0.0209(3) Uani 1 1 d . . . . .
C00A C 0.47576(7) 0.35104(7) 0.64555(8) 0.0261(3) Uani 1 1 d . . . . .
C00B C 0.51896(6) 0.46091(6) 0.24359(8) 0.0226(3) Uani 1 1 d . . . . .
C00C C 0.45162(7) 0.35246(6) 0.38232(8) 0.0237(3) Uani 1 1 d . . . . .
H00C H 0.4301 0.3254 0.3447 0.028 Uiso 1 1 calc R . . . .
C00D C 0.54093(6) 0.38599(7) 0.24794(8) 0.0236(3) Uani 1 1 d . . . . .
C00E C 0.37761(8) 0.30470(7) 0.68335(8) 0.0279(3) Uani 1 1 d . . . . .
C00F C 0.55001(7) 0.40695(7) 0.17385(8) 0.0255(3) Uani 1 1 d . . . . .
C00G C 0.38234(7) 0.32966(6) 0.61203(8) 0.0244(3) Uani 1 1 d . . . . .
C00H C 0.53516(6) 0.45374(7) 0.17084(8) 0.0246(3) Uani 1 1 d . . . . .
C00I C 0.43693(8) 0.31804(7) 0.70437(8) 0.0289(3) Uani 1 1 d . . . . .
C00J C 0.43231(7) 0.33722(6) 0.45724(8) 0.0234(3) Uani 1 1 d . . . . .
H00J H 0.3986 0.3004 0.4671 0.028 Uiso 1 1 calc R . . . .
C00K C 0.50298(7) 0.50357(7) 0.26118(9) 0.0264(3) Uani 1 1 d . . . . .
H00K H 0.4926 0.5080 0.3094 0.032 Uiso 1 1 calc R . . . .
C00L C 0.53452(7) 0.49032(7) 0.11377(9) 0.0303(3) Uani 1 1 d . . . . .
H00L H 0.5447 0.4861 0.0654 0.036 Uiso 1 1 calc R . . . .
C00M C 0.33273(7) 0.32402(7) 0.57436(9) 0.0287(3) Uani 1 1 d . . . . .
H00M H 0.3365 0.3412 0.5278 0.034 Uiso 1 1 calc R . . . .
C00N C 0.55190(7) 0.34074(7) 0.27036(9) 0.0283(3) Uani 1 1 d . . . . .
H00N H 0.5457 0.3273 0.3193 0.034 Uiso 1 1 calc R . . . .
C00O C 0.53649(8) 0.36975(8) 0.64730(9) 0.0320(4) Uani 1 1 d . . . . .
H00O H 0.5617 0.3913 0.6081 0.038 Uiso 1 1 calc R . . . .
C00P C 0.57073(7) 0.38143(8) 0.12125(9) 0.0332(4) Uani 1 1 d . . . . .
H00P H 0.5769 0.3945 0.0721 0.040 Uiso 1 1 calc R . . . .
C00Q C 0.50321(7) 0.53938(7) 0.20317(10) 0.0313(3) Uani 1 1 d . . . . .
H00Q H 0.4929 0.5685 0.2129 0.038 Uiso 1 1 calc R . . . .
C00R C 0.51860(7) 0.53272(8) 0.13038(9) 0.0334(4) Uani 1 1 d . . . . .
H00R H 0.5180 0.5572 0.0928 0.040 Uiso 1 1 calc R . . . .
C00S C 0.57244(8) 0.31637(8) 0.21693(10) 0.0347(4) Uani 1 1 d . . . . .
H00S H 0.5801 0.2860 0.2303 0.042 Uiso 1 1 calc R . . . .
C00T C 0.58183(8) 0.33665(8) 0.14339(10) 0.0372(4) Uani 1 1 d . . . . .
H00T H 0.5958 0.3197 0.1088 0.045 Uiso 1 1 calc R . . . .
C00U C 0.27746(8) 0.29186(8) 0.60871(11) 0.0351(4) Uani 1 1 d . . . . .
H00U H 0.2436 0.2876 0.5848 0.042 Uiso 1 1 calc R . . . .
C00V C 0.32083(9) 0.27191(7) 0.71618(9) 0.0353(4) Uani 1 1 d . . . . .
H00V H 0.3165 0.2547 0.7628 0.042 Uiso 1 1 calc R . . . .
C00W C 0.46036(10) 0.30384(8) 0.76630(9) 0.0391(4) Uani 1 1 d . . . . .
H00W H 0.4355 0.2820 0.8055 0.047 Uiso 1 1 calc R . . . .
C00X C 0.27156(8) 0.26560(8) 0.67842(11) 0.0395(4) Uani 1 1 d . . . . .
H00X H 0.2338 0.2435 0.6997 0.047 Uiso 1 1 calc R . . . .
C00Y C 0.55831(10) 0.35505(9) 0.70979(11) 0.0417(4) Uani 1 1 d . . . . .
H00Y H 0.5988 0.3671 0.7125 0.050 Uiso 1 1 calc R . . . .
C00Z C 0.52037(11) 0.32246(9) 0.76865(11) 0.0455(5) Uani 1 1 d . . . . .
H00Z H 0.5361 0.3133 0.8099 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'
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
N004 S001 N005 101.56(7) . . ?
C00A N002 C009 124.84(13) . . ?
C00A N002 C00G 108.38(12) . . ?
C00G N002 C009 123.87(13) . . ?
C00B N003 C006 125.75(12) . . ?
C00B N003 C00D 108.94(12) . . ?
C00D N003 C006 124.61(13) . . ?
C008 N004 S001 106.09(10) . . ?
C007 N005 S001 105.87(10) . . ?
N003 C006 C008 120.48(13) . . ?
C00C C006 N003 121.46(13) . . ?
C00C C006 C008 118.03(13) . . ?
N005 C007 C008 113.15(13) . . ?
N005 C007 C009 126.71(13) . . ?
C009 C007 C008 120.13(13) . . ?
N004 C008 C006 126.54(13) . . ?
N004 C008 C007 113.32(12) . . ?
C006 C008 C007 120.14(13) . . ?
N002 C009 C007 120.82(13) . . ?
C00J C009 N002 121.54(13) . . ?
C00J C009 C007 117.64(13) . . ?
N002 C00A C00I 108.75(14) . . ?
C00O C00A N002 129.32(14) . . ?
C00O C00A C00I 121.91(15) . . ?
N003 C00B C00H 108.39(13) . . ?
C00K C00B N003 129.07(14) . . ?
C00K C00B C00H 122.53(14) . . ?
C006 C00C H00C 119.1 . . ?
C006 C00C C00J 121.74(13) . . ?
C00J C00C H00C 119.1 . . ?
N003 C00D C00F 108.41(14) . . ?
C00N C00D N003 129.55(14) . . ?
C00N C00D C00F 122.02(14) . . ?
C00G C00E C00I 106.86(13) . . ?
C00V C00E C00G 118.88(16) . . ?
C00V C00E C00I 134.17(16) . . ?
C00D C00F C00H 107.09(13) . . ?
C00P C00F C00D 119.10(16) . . ?
C00P C00F C00H 133.81(15) . . ?
N002 C00G C00E 108.80(14) . . ?
C00M C00G N002 129.20(14) . . ?
C00M C00G C00E 122.00(15) . . ?
C00B C00H C00F 107.15(13) . . ?
C00L C00H C00B 119.16(15) . . ?
C00L C00H C00F 133.70(15) . . ?
C00A C00I C00E 107.19(14) . . ?
C00W C00I C00A 119.01(17) . . ?
C00W C00I C00E 133.77(16) . . ?
C009 C00J C00C 122.26(14) . . ?
C009 C00J H00J 118.9 . . ?
C00C C00J H00J 118.9 . . ?
C00B C00K H00K 121.6 . . ?
C00B C00K C00Q 116.73(15) . . ?
C00Q C00K H00K 121.6 . . ?
C00H C00L H00L 120.5 . . ?
C00R C00L C00H 118.92(15) . . ?
C00R C00L H00L 120.5 . . ?
C00G C00M H00M 121.2 . . ?
C00U C00M C00G 117.56(16) . . ?
C00U C00M H00M 121.2 . . ?
C00D C00N H00N 121.2 . . ?
C00S C00N C00D 117.52(16) . . ?
C00S C00N H00N 121.2 . . ?
C00A C00O H00O 121.2 . . ?
C00A C00O C00Y 117.56(17) . . ?
C00Y C00O H00O 121.2 . . ?
C00F C00P H00P 120.5 . . ?
C00T C00P C00F 119.01(16) . . ?
C00T C00P H00P 120.5 . . ?
C00K C00Q H00Q 119.1 . . ?
C00K C00Q C00R 121.74(16) . . ?
C00R C00Q H00Q 119.1 . . ?
C00L C00R C00Q 120.91(15) . . ?
C00L C00R H00R 119.5 . . ?
C00Q C00R H00R 119.5 . . ?
C00N C00S H00S 119.4 . . ?
C00N C00S C00T 121.26(17) . . ?
C00T C00S H00S 119.4 . . ?
C00P C00T C00S 121.09(15) . . ?
C00P C00T H00T 119.5 . . ?
C00S C00T H00T 119.5 . . ?
C00M C00U H00U 119.3 . . ?
C00M C00U C00X 121.40(18) . . ?
C00X C00U H00U 119.3 . . ?
C00E C00V H00V 120.4 . . ?
C00X C00V C00E 119.12(16) . . ?
C00X C00V H00V 120.4 . . ?
C00I C00W H00W 120.3 . . ?
C00Z C00W C00I 119.43(17) . . ?
C00Z C00W H00W 120.3 . . ?
C00U C00X H00X 119.5 . . ?
C00V C00X C00U 121.01(16) . . ?
C00V C00X H00X 119.5 . . ?
C00O C00Y H00Y 119.4 . . ?
C00O C00Y C00Z 121.19(19) . . ?
C00Z C00Y H00Y 119.4 . . ?
C00W C00Z C00Y 120.90(17) . . ?
C00W C00Z H00Z 119.6 . . ?
C00Y C00Z H00Z 119.5 . . ?
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
S001 N004 1.6120(13) . ?
S001 N005 1.6130(13) . ?
N002 C009 1.4188(18) . ?
N002 C00A 1.396(2) . ?
N002 C00G 1.400(2) . ?
N003 C006 1.4212(18) . ?
N003 C00B 1.393(2) . ?
N003 C00D 1.3953(19) . ?
N004 C008 1.3394(19) . ?
N005 C007 1.3463(19) . ?
C006 C008 1.425(2) . ?
C006 C00C 1.365(2) . ?
C007 C008 1.4390(19) . ?
C007 C009 1.426(2) . ?
C009 C00J 1.368(2) . ?
C00A C00I 1.412(2) . ?
C00A C00O 1.389(2) . ?
C00B C00H 1.413(2) . ?
C00B C00K 1.390(2) . ?
C00C H00C 0.9300 . ?
C00C C00J 1.422(2) . ?
C00D C00F 1.413(2) . ?
C00D C00N 1.390(2) . ?
C00E C00G 1.413(2) . ?
C00E C00I 1.440(3) . ?
C00E C00V 1.403(2) . ?
C00F C00H 1.437(2) . ?
C00F C00P 1.402(2) . ?
C00G C00M 1.389(2) . ?
C00H C00L 1.399(2) . ?
C00I C00W 1.400(2) . ?
C00J H00J 0.9300 . ?
C00K H00K 0.9300 . ?
C00K C00Q 1.391(2) . ?
C00L H00L 0.9300 . ?
C00L C00R 1.379(3) . ?
C00M H00M 0.9300 . ?
C00M C00U 1.385(2) . ?
C00N H00N 0.9300 . ?
C00N C00S 1.390(2) . ?
C00O H00O 0.9300 . ?
C00O C00Y 1.391(2) . ?
C00P H00P 0.9300 . ?
C00P C00T 1.379(3) . ?
C00Q H00Q 0.9300 . ?
C00Q C00R 1.403(3) . ?
C00R H00R 0.9300 . ?
C00S H00S 0.9300 . ?
C00S C00T 1.398(3) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00U C00X 1.396(3) . ?
C00V H00V 0.9300 . ?
C00V C00X 1.376(3) . ?
C00W H00W 0.9300 . ?
C00W C00Z 1.372(3) . ?
C00X H00X 0.9300 . ?
C00Y H00Y 0.9300 . ?
C00Y C00Z 1.400(3) . ?
C00Z H00Z 0.9300 . ?
