#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:27:16 +0300 (Thu, 05 May 2022) $
#$Revision: 274967 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/63/1566346.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_1566346
loop_
_publ_author_name
'Mao, Xiaofeng'
'Zhang, Jie'
'Lu, Zhenpin'
'Xie, Zuowei'
_publ_section_title
;
 A (μ-hydrido)diborane(4) anion and its coordination chemistry with
 coinage metals.
;
_journal_issue                   10
_journal_name_full               'Chemical science'
_journal_page_first              3009
_journal_page_last               3013
_journal_paper_doi               10.1039/d2sc00318j
_journal_volume                  13
_journal_year                    2022
_chemical_formula_sum            'C52 H77 B2 Na O6'
_chemical_formula_weight         842.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-01-10 deposited with the CCDC.	2022-02-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.231(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.5628(10)
_cell_length_b                   13.3264(11)
_cell_length_c                   15.5838(13)
_cell_measurement_reflns_used    169
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     2505.0(4)
_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_reduction        'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'BRUKER SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0145
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            67056
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.249
_diffrn_reflns_theta_min         2.046
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6968
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_description       block
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0711
_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)+(0.1075P)²+1.7230P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2001
_refine_ls_wR_factor_ref         0.2167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3654
_reflns_number_total             4500
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc00318j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1566346--1566349.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1566346
_shelx_shelxl_version_number     2018/3
_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_min   0.962
_shelx_estimated_absorpt_t_max   0.977
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Na1 Na 0.500000 0.500000 0.000000 0.0416(3) Uani 1 2 d S . P . .
B1 B 0.9586(2) 0.52780(19) 0.52438(19) 0.0451(6) Uani 1 1 d . . . . .
O1 O 0.60370(15) 0.40637(13) 0.12568(11) 0.0566(5) Uani 1 1 d . . . . .
O2 O 0.35562(14) 0.52272(14) 0.07117(11) 0.0539(5) Uani 1 1 d . . . . .
O3 O 0.41560(14) 0.34920(13) -0.06840(12) 0.0565(5) Uani 1 1 d . . . . .
C1 C 0.8303(2) 0.5470(2) 0.47275(18) 0.0563(7) Uani 1 1 d . . . . .
C2 C 0.7965(3) 0.6227(3) 0.4088(2) 0.0815(11) Uani 1 1 d . . . . .
H2A H 0.851277 0.659578 0.390664 0.098 Uiso 1 1 calc R U . . .
C3 C 0.6854(5) 0.6457(4) 0.3709(3) 0.119(2) Uani 1 1 d . . . . .
H3A H 0.664998 0.699245 0.329346 0.143 Uiso 1 1 calc R U . . .
C4 C 0.6065(4) 0.5915(6) 0.3936(4) 0.141(3) Uani 1 1 d . . . . .
H4A H 0.530618 0.607262 0.367407 0.169 Uiso 1 1 calc R U . . .
C5 C 0.6339(3) 0.5144(5) 0.4534(4) 0.119(2) Uani 1 1 d . . . . .
H5A H 0.577211 0.476426 0.467728 0.142 Uiso 1 1 calc R U . . .
C6 C 0.7449(2) 0.4911(3) 0.4934(2) 0.0796(10) Uani 1 1 d . . . . .
C7 C 0.7691(4) 0.4087(4) 0.5570(3) 0.1288(19) Uani 1 1 d . . . . .
H7A H 0.849616 0.400372 0.579995 0.193 Uiso 1 1 calc R U . . .
H7B H 0.737942 0.423469 0.606640 0.193 Uiso 1 1 calc R U . . .
H7C H 0.736204 0.346792 0.527227 0.193 Uiso 1 1 calc R U . . .
C8 C 0.9984(2) 0.56452(19) 0.62725(16) 0.0481(6) Uani 1 1 d . . . . .
C9 C 1.0095(2) 0.6652(2) 0.65053(19) 0.0565(7) Uani 1 1 d . . . . .
C10 C 1.0278(2) 0.6928(3) 0.7413(2) 0.0763(10) Uani 1 1 d . . . . .
H10A H 1.034622 0.761828 0.757044 0.092 Uiso 1 1 calc R U . . .
C11 C 1.0357(3) 0.6232(3) 0.8062(2) 0.0784(10) Uani 1 1 d . . . . .
H11A H 1.045142 0.643885 0.866245 0.094 Uiso 1 1 calc R U . . .
C12 C 1.0302(3) 0.5244(3) 0.7859(2) 0.0736(9) Uani 1 1 d . . . . .
H12A H 1.038500 0.475380 0.831481 0.088 Uiso 1 1 calc R U . . .
C13 C 1.0125(2) 0.4958(2) 0.69796(18) 0.0594(7) Uani 1 1 d . . . . .
H13A H 1.009587 0.426130 0.684522 0.071 Uiso 1 1 calc R U . . .
C14 C 1.0019(4) 0.7438(2) 0.5813(3) 0.0900(11) Uani 1 1 d . . . . .
H14A H 1.011565 0.810073 0.609626 0.135 Uiso 1 1 calc R U . . .
H14B H 1.059953 0.732757 0.551453 0.135 Uiso 1 1 calc R U . . .
H14C H 0.929011 0.740239 0.537206 0.135 Uiso 1 1 calc R U . . .
C15 C 0.6655(2) 0.4442(2) 0.21145(18) 0.0624(7) Uani 1 1 d . . . . .
H15A H 0.627020 0.502548 0.228419 0.075 Uiso 1 1 calc R U . . .
H15B H 0.740339 0.465558 0.209823 0.075 Uiso 1 1 calc R U . . .
C16 C 0.6736(3) 0.3617(3) 0.2764(2) 0.0743(9) Uani 1 1 d . . . . .
H16A H 0.614338 0.367025 0.306723 0.089 Uiso 1 1 calc R U . . .
H16B H 0.746483 0.362559 0.322009 0.089 Uiso 1 1 calc R U . . .
C17 C 0.6603(3) 0.2686(3) 0.2214(2) 0.0816(10) Uani 1 1 d . . . . .
H17A H 0.732520 0.234564 0.230053 0.098 Uiso 1 1 calc R U . . .
H17B H 0.608271 0.221686 0.238027 0.098 Uiso 1 1 calc R U . . .
C18 C 0.6156(4) 0.3018(3) 0.1275(2) 0.1002(14) Uani 1 1 d . . . . .
H18A H 0.666682 0.281615 0.092410 0.120 Uiso 1 1 calc R U . . .
H18B H 0.542789 0.269702 0.100630 0.120 Uiso 1 1 calc R U . . .
C19 C 0.3521(2) 0.4741(3) 0.1515(2) 0.0700(8) Uani 1 1 d . . . . .
H19A H 0.397874 0.511147 0.203920 0.084 Uiso 1 1 calc R U . . .
H19B H 0.381312 0.404900 0.153160 0.084 Uiso 1 1 calc R U . . .
C20 C 0.2356(3) 0.4720(4) 0.1533(3) 0.1149(17) Uani 1 1 d . . . . .
H20A H 0.214452 0.403345 0.166609 0.138 Uiso 1 1 calc R U . . .
H20B H 0.224379 0.518058 0.199848 0.138 Uiso 1 1 calc R U . . .
C21 C 0.1685(2) 0.5038(3) 0.0650(2) 0.0746(9) Uani 1 1 d . . . . .
H21A H 0.104784 0.545212 0.069222 0.089 Uiso 1 1 calc R U . . .
H21B H 0.140844 0.445363 0.025847 0.089 Uiso 1 1 calc R U . . .
C22 C 0.2495(2) 0.5644(2) 0.0313(2) 0.0674(8) Uani 1 1 d . . . . .
H22A H 0.231318 0.560207 -0.034646 0.081 Uiso 1 1 calc R U . . .
H22B H 0.247513 0.635692 0.048553 0.081 Uiso 1 1 calc R U . . .
C23 C 0.4656(2) 0.2839(2) -0.11802(18) 0.0571(7) Uani 1 1 d . . . . .
H23A H 0.541917 0.266267 -0.082828 0.069 Uiso 1 1 calc R U . . .
H23B H 0.468979 0.316230 -0.174386 0.069 Uiso 1 1 calc R U . . .
C24 C 0.3947(3) 0.1926(2) -0.1371(2) 0.0743(9) Uani 1 1 d . . . . .
H24A H 0.393908 0.163387 -0.195719 0.089 Uiso 1 1 calc R U . . .
H24B H 0.421373 0.141240 -0.090121 0.089 Uiso 1 1 calc R U . . .
C25 C 0.2830(3) 0.2294(3) -0.1378(3) 0.0828(10) Uani 1 1 d . . . . .
H25A H 0.240037 0.249498 -0.198834 0.099 Uiso 1 1 calc R U . . .
H25B H 0.241202 0.177053 -0.115803 0.099 Uiso 1 1 calc R U . . .
C26 C 0.3052(2) 0.3168(2) -0.0770(2) 0.0661(8) Uani 1 1 d . . . . .
H26A H 0.252188 0.371560 -0.101828 0.079 Uiso 1 1 calc R U . . .
H26B H 0.296722 0.297819 -0.017873 0.079 Uiso 1 1 calc R U . . .
H1 H 1.051853 0.512702 0.541163 0.022 Uiso 0.5 1 d . . P . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
O1 Na1 O1 180.0 3_665 . ?
O1 Na1 O3 90.07(6) 3_665 . ?
O1 Na1 O3 89.93(6) . . ?
O1 Na1 O3 89.93(6) 3_665 3_665 ?
O1 Na1 O3 90.07(6) . 3_665 ?
O3 Na1 O3 180.0 . 3_665 ?
O1 Na1 O2 90.21(6) 3_665 . ?
O1 Na1 O2 89.79(6) . . ?
O3 Na1 O2 90.80(6) . . ?
O3 Na1 O2 89.20(6) 3_665 . ?
O1 Na1 O2 89.80(6) 3_665 3_665 ?
O1 Na1 O2 90.21(6) . 3_665 ?
O3 Na1 O2 89.20(6) . 3_665 ?
O3 Na1 O2 90.80(6) 3_665 3_665 ?
O2 Na1 O2 180.0 . 3_665 ?
C1 B1 C8 116.0(2) . . ?
C1 B1 B1 121.4(3) . 3_766 ?
C8 B1 B1 122.6(3) . 3_766 ?
C1 B1 H1 164.0 . . ?
C8 B1 H1 79.2 . . ?
B1 B1 H1 43.9 3_766 . ?
C18 O1 C15 107.6(2) . . ?
C18 O1 Na1 124.68(18) . . ?
C15 O1 Na1 127.68(16) . . ?
C22 O2 C19 107.92(19) . . ?
C22 O2 Na1 126.00(15) . . ?
C19 O2 Na1 124.36(16) . . ?
C23 O3 C26 109.30(19) . . ?
C23 O3 Na1 123.44(14) . . ?
C26 O3 Na1 126.77(15) . . ?
C2 C1 C6 116.3(3) . . ?
C2 C1 B1 122.2(3) . . ?
C6 C1 B1 121.4(3) . . ?
C3 C2 C1 122.0(5) . . ?
C3 C2 H2A 119.0 . . ?
C1 C2 H2A 119.0 . . ?
C4 C3 C2 119.7(5) . . ?
C4 C3 H3A 120.2 . . ?
C2 C3 H3A 120.2 . . ?
C3 C4 C5 121.2(4) . . ?
C3 C4 H4A 119.4 . . ?
C5 C4 H4A 119.4 . . ?
C4 C5 C6 120.2(5) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
C5 C6 C1 120.6(4) . . ?
C5 C6 C7 117.7(4) . . ?
C1 C6 C7 121.7(3) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C13 116.4(2) . . ?
C9 C8 B1 122.2(2) . . ?
C13 C8 B1 121.1(2) . . ?
C8 C9 C10 119.3(3) . . ?
C8 C9 C14 120.7(3) . . ?
C10 C9 C14 120.1(3) . . ?
C11 C10 C9 121.7(3) . . ?
C11 C10 H10A 119.1 . . ?
C9 C10 H10A 119.1 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C13 119.1(3) . . ?
C11 C12 H12A 120.4 . . ?
C13 C12 H12A 120.4 . . ?
C12 C13 C8 123.3(3) . . ?
C12 C13 H13A 118.4 . . ?
C8 C13 H13A 118.4 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 C16 107.0(2) . . ?
O1 C15 H15A 110.3 . . ?
C16 C15 H15A 110.3 . . ?
O1 C15 H15B 110.3 . . ?
C16 C15 H15B 110.3 . . ?
H15A C15 H15B 108.6 . . ?
C15 C16 C17 104.5(2) . . ?
C15 C16 H16A 110.9 . . ?
C17 C16 H16A 110.9 . . ?
C15 C16 H16B 110.9 . . ?
C17 C16 H16B 110.9 . . ?
H16A C16 H16B 108.9 . . ?
C18 C17 C16 105.7(3) . . ?
C18 C17 H17A 110.6 . . ?
C16 C17 H17A 110.6 . . ?
C18 C17 H17B 110.6 . . ?
C16 C17 H17B 110.6 . . ?
H17A C17 H17B 108.7 . . ?
O1 C18 C17 109.0(3) . . ?
O1 C18 H18A 109.9 . . ?
C17 C18 H18A 109.9 . . ?
O1 C18 H18B 109.9 . . ?
C17 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
O2 C19 C20 107.6(2) . . ?
O2 C19 H19A 110.2 . . ?
C20 C19 H19A 110.2 . . ?
O2 C19 H19B 110.2 . . ?
C20 C19 H19B 110.2 . . ?
H19A C19 H19B 108.5 . . ?
C21 C20 C19 106.9(3) . . ?
C21 C20 H20A 110.3 . . ?
C19 C20 H20A 110.3 . . ?
C21 C20 H20B 110.3 . . ?
C19 C20 H20B 110.3 . . ?
H20A C20 H20B 108.6 . . ?
C20 C21 C22 102.5(3) . . ?
C20 C21 H21A 111.3 . . ?
C22 C21 H21A 111.3 . . ?
C20 C21 H21B 111.3 . . ?
C22 C21 H21B 111.3 . . ?
H21A C21 H21B 109.2 . . ?
O2 C22 C21 106.4(2) . . ?
O2 C22 H22A 110.5 . . ?
C21 C22 H22A 110.5 . . ?
O2 C22 H22B 110.5 . . ?
C21 C22 H22B 110.5 . . ?
H22A C22 H22B 108.6 . . ?
O3 C23 C24 106.2(2) . . ?
O3 C23 H23A 110.5 . . ?
C24 C23 H23A 110.5 . . ?
O3 C23 H23B 110.5 . . ?
C24 C23 H23B 110.5 . . ?
H23A C23 H23B 108.7 . . ?
C25 C24 C23 104.1(3) . . ?
C25 C24 H24A 110.9 . . ?
C23 C24 H24A 110.9 . . ?
C25 C24 H24B 110.9 . . ?
C23 C24 H24B 110.9 . . ?
H24A C24 H24B 109.0 . . ?
C26 C25 C24 104.3(2) . . ?
C26 C25 H25A 110.9 . . ?
C24 C25 H25A 110.9 . . ?
C26 C25 H25B 110.9 . . ?
C24 C25 H25B 110.9 . . ?
H25A C25 H25B 108.9 . . ?
O3 C26 C25 107.7(2) . . ?
O3 C26 H26A 110.2 . . ?
C25 C26 H26A 110.2 . . ?
O3 C26 H26B 110.2 . . ?
C25 C26 H26B 110.2 . . ?
H26A C26 H26B 108.5 . . ?
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
Na1 O1 2.3798(17) 3_665 ?
Na1 O1 2.3799(17) . ?
Na1 O3 2.3806(17) . ?
Na1 O3 2.3807(17) 3_665 ?
Na1 O2 2.3950(16) . ?
Na1 O2 2.3950(16) 3_665 ?
B1 C1 1.608(4) . ?
B1 C8 1.616(4) . ?
B1 B1 1.628(5) 3_766 ?
B1 H1 1.1448 . ?
O1 C18 1.402(4) . ?
O1 C15 1.436(3) . ?
O2 C22 1.417(3) . ?
O2 C19 1.421(3) . ?
O3 C23 1.422(3) . ?
O3 C26 1.423(3) . ?
C1 C2 1.398(4) . ?
C1 C6 1.414(4) . ?
C2 C3 1.390(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.350(9) . ?
C3 H3A 0.9500 . ?
C4 C5 1.365(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.394(6) . ?
C5 H5A 0.9500 . ?
C6 C7 1.453(6) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.387(4) . ?
C8 C13 1.406(4) . ?
C9 C10 1.416(4) . ?
C9 C14 1.487(4) . ?
C10 C11 1.356(5) . ?
C10 H10A 0.9500 . ?
C11 C12 1.351(5) . ?
C11 H11A 0.9500 . ?
C12 C13 1.379(4) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.478(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.490(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.480(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.472(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.461(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.504(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.488(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.484(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.478(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
