#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:54:21 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/66/7706678.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_7706678
loop_
_publ_author_name
'de Aquino, Araceli'
'Caparrós, Francisco J'
'Truong, Khai-Nghi'
'Rissanen, Kari'
'Ferrer, Montserrat'
'Jung, Yongsik'
'Choi, Hyeonho'
'Lima, João Carlos'
'Rodríguez, Laura'
_publ_section_title
;
 Gold(i)-doped films: new routes for efficient room temperature
 phosphorescent materials.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3806
_journal_page_last               3815
_journal_paper_doi               10.1039/d1dt00087j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C78 H60 Au4 P4'
_chemical_formula_sum            'C78 H60 Au4 P4'
_chemical_formula_weight         1909.00
_chemical_name_common            BOR-dppm-F
_chemical_name_systematic        2b
_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
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-01-08 deposited with the CCDC.	2021-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.556(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0049(3)
_cell_length_b                   16.5845(5)
_cell_length_c                   18.2031(6)
_cell_measurement_reflns_used    8005
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.700
_cell_measurement_theta_min      0.407
_cell_volume                     3550.69(18)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2015)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_unetI/netI     0.1323
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18843
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.249
_diffrn_reflns_theta_min         1.873
_exptl_absorpt_coefficient_mu    8.369
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5175
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.592
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         6436
_refine_ls_number_restraints     118
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0627
_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)+(0.0452P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1367
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4087
_reflns_number_total             6436
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00087j2.cif
_cod_data_source_block           2b
_cod_depositor_comments
'Adding full bibliography for 7706677--7706679.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706678
_shelx_shelxl_version_number     2017/1
_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   0.260
_shelx_estimated_absorpt_t_max   0.299
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
Au1 Au 0.64593(4) 0.60053(3) 0.63678(3) 0.02852(17) Uani 1 1 d . . . . .
Au2 Au 0.60265(4) 0.50012(3) 0.46548(3) 0.02400(16) Uani 1 1 d . . . . .
P1 P 0.4041(3) 0.6391(2) 0.5450(2) 0.0238(8) Uani 1 1 d . . . . .
P2 P 0.6088(3) 0.63924(19) 0.4729(2) 0.0238(8) Uani 1 1 d . . . . .
C1 C 0.3081(9) 0.6909(7) 0.4709(7) 0.023(3) Uani 1 1 d . . . . .
C2 C 0.2494(11) 0.6530(8) 0.4095(9) 0.041(4) Uani 1 1 d . . . . .
H2 H 0.256003 0.596121 0.406202 0.050 Uiso 1 1 calc R U . . .
C3 C 0.1791(11) 0.6941(9) 0.3502(9) 0.051(4) Uani 1 1 d . . . . .
H3 H 0.137388 0.666410 0.307779 0.061 Uiso 1 1 calc R U . . .
C4 C 0.1738(11) 0.7786(8) 0.3573(8) 0.039(4) Uani 1 1 d . . . . .
H4 H 0.129724 0.809035 0.317689 0.047 Uiso 1 1 calc R U . . .
C5 C 0.2298(12) 0.8171(9) 0.4188(9) 0.048(4) Uani 1 1 d . . . . .
H5 H 0.223095 0.874014 0.422258 0.058 Uiso 1 1 calc R U . . .
C6 C 0.2949(10) 0.7765(8) 0.4752(8) 0.037(4) Uani 1 1 d . . . . .
H6 H 0.332575 0.804757 0.518478 0.044 Uiso 1 1 calc R U . . .
C7 C 0.3590(10) 0.6765(7) 0.6287(7) 0.024(3) Uani 1 1 d . . . . .
C8 C 0.2491(11) 0.6600(9) 0.6347(9) 0.046(4) Uani 1 1 d . . . . .
H8 H 0.202585 0.628048 0.597338 0.055 Uiso 1 1 calc R U . . .
C9 C 0.2045(13) 0.6892(10) 0.6944(9) 0.055(3) Uani 1 1 d . . . . .
H9 H 0.128126 0.678093 0.698006 0.066 Uiso 1 1 calc R U . . .
C10 C 0.2730(12) 0.7337(10) 0.7471(9) 0.055(3) Uani 1 1 d . . . . .
H10 H 0.243926 0.753584 0.788464 0.066 Uiso 1 1 calc R U . . .
C11 C 0.3811(12) 0.7508(9) 0.7428(9) 0.046(4) Uani 1 1 d . . . . .
H11 H 0.425873 0.784347 0.779572 0.056 Uiso 1 1 calc R U . . .
C12 C 0.4266(11) 0.7201(8) 0.6858(8) 0.031(3) Uani 1 1 d . . . . .
H12 H 0.504671 0.728527 0.685304 0.038 Uiso 1 1 calc R U . . .
C13 C 0.5479(9) 0.6730(7) 0.5511(7) 0.0225(17) Uani 1 1 d . . . . .
H13 H 0.557631 0.732178 0.561074 0.027 Uiso 1 1 calc R U . . .
C14 C 0.5426(9) 0.6882(7) 0.3857(8) 0.026(3) Uani 1 1 d . . . . .
C15 C 0.5524(12) 0.7709(8) 0.3797(8) 0.040(4) Uani 1 1 d . . . . .
H15 H 0.598145 0.800719 0.419120 0.048 Uiso 1 1 calc R U . . .
C16 C 0.4949(12) 0.8106(9) 0.3154(9) 0.045(4) Uani 1 1 d . . . . .
H16 H 0.503494 0.867216 0.311132 0.054 Uiso 1 1 calc R U . . .
C17 C 0.4269(12) 0.7695(8) 0.2589(9) 0.043(4) Uani 1 1 d . . . . .
H17 H 0.386185 0.796933 0.216040 0.051 Uiso 1 1 calc R U . . .
C18 C 0.4183(13) 0.6841(10) 0.2659(10) 0.062(5) Uani 1 1 d . . . . .
H18 H 0.375448 0.652948 0.226291 0.075 Uiso 1 1 calc R U . . .
C19 C 0.4732(12) 0.6478(9) 0.3309(9) 0.043(4) Uani 1 1 d . . . . .
H19 H 0.461691 0.591775 0.337335 0.052 Uiso 1 1 calc R U . . .
C20 C 0.7557(9) 0.6772(7) 0.4913(8) 0.023(3) Uani 1 1 d . . . . .
C21 C 0.8271(11) 0.6467(9) 0.4486(9) 0.041(4) Uani 1 1 d . . . . .
H21 H 0.801601 0.605124 0.413286 0.050 Uiso 1 1 calc R U . . .
C22 C 0.9371(12) 0.6764(9) 0.4569(10) 0.053(4) Uani 1 1 d . . . . .
H22 H 0.985315 0.655701 0.425825 0.064 Uiso 1 1 calc R U . . .
C23 C 0.9776(12) 0.7341(9) 0.5081(9) 0.048(4) Uani 1 1 d . . . . .
H23 H 1.051883 0.755295 0.511202 0.057 Uiso 1 1 calc R U . . .
C24 C 0.9092(11) 0.7619(9) 0.5560(9) 0.045(4) Uani 1 1 d . . . . .
H24 H 0.938136 0.798357 0.595473 0.055 Uiso 1 1 calc R U . . .
C25 C 0.7954(11) 0.7345(8) 0.5445(9) 0.037(4) Uani 1 1 d . . . . .
H25 H 0.745755 0.755999 0.574160 0.044 Uiso 1 1 calc R U . . .
C26 C 0.7500(10) 0.5335(7) 0.7207(8) 0.030(2) Uani 1 1 d D . . . .
C27 C 0.8644(12) 0.5158(8) 0.7110(10) 0.044(4) Uani 1 1 d . . . . .
C28 C 0.9044(11) 0.5350(7) 0.6448(8) 0.030(2) Uani 1 1 d . . . . .
H28 H 0.854909 0.561263 0.604640 0.036 Uiso 1 1 calc R U . . .
C29 C 1.0152(12) 0.5161(9) 0.6375(10) 0.054(4) Uani 1 1 d . . . . .
H29 H 1.040146 0.528296 0.592379 0.065 Uiso 1 1 calc R U . . .
C30 C 1.0878(12) 0.4797(9) 0.6962(10) 0.046(4) Uani 1 1 d . . . . .
H30 H 1.163403 0.468472 0.690917 0.055 Uiso 1 1 calc R U . . .
C31 C 1.0562(13) 0.4590(10) 0.7618(11) 0.060(5) Uani 1 1 d . . . . .
H31 H 1.107744 0.432622 0.800819 0.072 Uiso 1 1 calc R U . . .
C32 C 0.9454(12) 0.4778(8) 0.7697(10) 0.043(3) Uani 1 1 d . . . . .
C33 C 0.9055(12) 0.4589(8) 0.8399(10) 0.044(3) Uani 1 1 d . . . . .
C34 C 0.9837(15) 0.4263(10) 0.9018(11) 0.066(5) Uani 1 1 d . . . . .
H34 H 1.060451 0.415547 0.898853 0.079 Uiso 1 1 calc R U . . .
C35 C 0.9442(19) 0.4109(10) 0.9658(12) 0.080(7) Uani 1 1 d . . . . .
H35 H 0.992854 0.388232 1.008389 0.096 Uiso 1 1 calc R U . . .
C36 C 0.8230(17) 0.4303(9) 0.9678(12) 0.068(6) Uani 1 1 d . . . . .
H36 H 0.797336 0.420125 1.013042 0.082 Uiso 1 1 calc R U . . .
C37 C 0.7526(14) 0.4594(10) 0.9130(11) 0.054(5) Uani 1 1 d . . . . .
H37 H 0.676003 0.469580 0.916464 0.065 Uiso 1 1 calc R U . . .
C38 C 0.7922(12) 0.4762(8) 0.8460(9) 0.040(3) Uani 1 1 d . . . . .
C39 C 0.7176(12) 0.5152(7) 0.7809(8) 0.036(3) Uani 1 1 d D . . . .
H39 H 0.641423 0.527228 0.784474 0.043 Uiso 1 1 calc R U . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
C26 Au1 C13 176.8(5) . . ?
C26 Au1 P2 142.2(4) . . ?
C13 Au1 P2 36.8(3) . . ?
P2 Au2 P1 178.67(13) . 3_666 ?
P2 Au2 Au2 89.78(9) . 3_666 ?
P1 Au2 Au2 90.86(9) 3_666 3_666 ?
C13 P1 C1 111.0(6) . . ?
C13 P1 C7 106.5(6) . . ?
C1 P1 C7 102.1(6) . . ?
C13 P1 Au2 109.5(4) . 3_666 ?
C1 P1 Au2 114.0(4) . 3_666 ?
C7 P1 Au2 113.4(4) . 3_666 ?
C13 P2 C14 111.9(6) . . ?
C13 P2 C20 105.9(6) . . ?
C14 P2 C20 104.0(6) . . ?
C13 P2 Au2 109.9(4) . . ?
C14 P2 Au2 113.0(4) . . ?
C20 P2 Au2 111.8(4) . . ?
C14 P2 Au1 156.5(4) . . ?
C20 P2 Au1 86.9(4) . . ?
Au2 P2 Au1 80.86(10) . . ?
C2 C1 C6 117.4(12) . . ?
C2 C1 P1 123.1(9) . . ?
C6 C1 P1 119.5(9) . . ?
C1 C2 C3 122.9(13) . . ?
C1 C2 H2 118.5 . . ?
C3 C2 H2 118.5 . . ?
C2 C3 C4 116.2(14) . . ?
C2 C3 H3 121.9 . . ?
C4 C3 H3 121.9 . . ?
C5 C4 C3 121.6(13) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C6 C5 C4 121.0(14) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C5 C6 C1 120.7(13) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C8 C7 C12 118.1(13) . . ?
C8 C7 P1 116.7(10) . . ?
C12 C7 P1 125.2(9) . . ?
C7 C8 C9 121.3(14) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C10 C9 C8 118.0(14) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
C11 C10 C9 122.0(15) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C10 C11 C12 120.2(14) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 120.1(12) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
P1 C13 P2 112.8(7) . . ?
P1 C13 Au1 104.6(6) . . ?
P2 C13 Au1 98.6(5) . . ?
P1 C13 H13 113.2 . . ?
P2 C13 H13 113.2 . . ?
Au1 C13 H13 113.2 . . ?
C19 C14 C15 119.0(13) . . ?
C19 C14 P2 121.5(10) . . ?
C15 C14 P2 118.9(11) . . ?
C14 C15 C16 119.8(14) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C17 C16 C15 121.2(14) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C18 118.2(14) . . ?
C16 C17 H17 120.9 . . ?
C18 C17 H17 120.9 . . ?
C19 C18 C17 118.7(14) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C14 C19 C18 122.7(13) . . ?
C14 C19 H19 118.6 . . ?
C18 C19 H19 118.6 . . ?
C21 C20 C25 119.4(12) . . ?
C21 C20 P2 117.2(10) . . ?
C25 C20 P2 123.4(10) . . ?
C20 C21 C22 119.9(15) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 121.8(16) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C22 C23 C24 119.3(14) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C23 C24 C25 118.3(15) . . ?
C23 C24 H24 120.8 . . ?
C25 C24 H24 120.8 . . ?
C20 C25 C24 121.0(15) . . ?
C20 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C39 C26 C27 121.2(14) . . ?
C39 C26 Au1 121.0(11) . . ?
C27 C26 Au1 117.5(11) . . ?
C28 C27 C32 115.8(13) . . ?
C28 C27 C26 123.2(14) . . ?
C32 C27 C26 121.0(15) . . ?
C29 C28 C27 121.3(14) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C30 C29 C28 119.4(16) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C31 C30 C29 123.0(15) . . ?
C31 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
C30 C31 C32 118.0(16) . . ?
C30 C31 H31 121.0 . . ?
C32 C31 H31 121.0 . . ?
C31 C32 C27 122.4(17) . . ?
C31 C32 C33 121.2(15) . . ?
C27 C32 C33 116.4(14) . . ?
C38 C33 C34 120.5(17) . . ?
C38 C33 C32 120.3(14) . . ?
C34 C33 C32 119.1(15) . . ?
C35 C34 C33 117.3(18) . . ?
C35 C34 H34 121.3 . . ?
C33 C34 H34 121.3 . . ?
C34 C35 C36 119.1(18) . . ?
C34 C35 H35 120.5 . . ?
C36 C35 H35 120.5 . . ?
C37 C36 C35 124(2) . . ?
C37 C36 H36 118.0 . . ?
C35 C36 H36 118.0 . . ?
C36 C37 C38 117.8(18) . . ?
C36 C37 H37 121.1 . . ?
C38 C37 H37 121.1 . . ?
C33 C38 C37 121.2(15) . . ?
C33 C38 C39 117.5(16) . . ?
C37 C38 C39 121.2(14) . . ?
C26 C39 C38 123.5(14) . . ?
C26 C39 H39 118.2 . . ?
C38 C39 H39 118.2 . . ?
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
Au1 C26 2.089(13) . ?
Au1 C13 2.128(12) . ?
Au1 P2 2.995(4) . ?
Au2 P2 2.312(3) . ?
Au2 P1 2.317(3) 3_666 ?
Au2 Au2 2.9823(10) 3_666 ?
P1 C13 1.797(11) . ?
P1 C1 1.806(12) . ?
P1 C7 1.825(13) . ?
P2 C13 1.814(13) . ?
P2 C14 1.818(13) . ?
P2 C20 1.839(11) . ?
C1 C2 1.352(17) . ?
C1 C6 1.432(17) . ?
C2 C3 1.405(18) . ?
C2 H2 0.9500 . ?
C3 C4 1.410(19) . ?
C3 H3 0.9500 . ?
C4 C5 1.346(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.341(17) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.374(17) . ?
C7 C12 1.387(17) . ?
C8 C9 1.391(19) . ?
C8 H8 0.9500 . ?
C9 C10 1.352(19) . ?
C9 H9 0.9500 . ?
C10 C11 1.346(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.363(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13 1.0000 . ?
C14 C19 1.345(18) . ?
C14 C15 1.383(18) . ?
C15 C16 1.398(18) . ?
C15 H15 0.9500 . ?
C16 C17 1.361(19) . ?
C16 H16 0.9500 . ?
C17 C18 1.43(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.372(19) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.365(18) . ?
C20 C25 1.372(17) . ?
C21 C22 1.389(18) . ?
C21 H21 0.9500 . ?
C22 C23 1.36(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.39(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.415(18) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C39 1.272(14) . ?
C26 C27 1.449(18) . ?
C27 C28 1.42(2) . ?
C27 C32 1.44(2) . ?
C28 C29 1.399(18) . ?
C28 H28 0.9500 . ?
C29 C30 1.38(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.37(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.40(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.49(2) . ?
C33 C38 1.42(2) . ?
C33 C34 1.42(2) . ?
C34 C35 1.37(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.50(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.27(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.42(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.483(19) . ?
C39 H39 0.9500 . ?
