#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:28:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179531 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/00/4500035.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_4500035
loop_
_publ_author_name
'Gagnon, Eric'
'Maris, Thierry'
'Arseneault, Pierre-Marc'
'Maly, Kenneth E.'
'Wuest,James D'
_publ_section_title
;
 Structural Features in Crystals of Derivatives of Benzene with Multiple
 Contiguous Phenyl Substituents
;
_journal_name_full               'Cryst. Growth & Design'
_journal_page_first              648
_journal_page_last               657
_journal_paper_doi               10.1021/cg9010746
_journal_volume                  10
_journal_year                    2010
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C36 H26, 0.5(C6 H6)'
_chemical_formula_sum            'C39 H29'
_chemical_formula_weight         497.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                65.724(5)
_cell_angle_beta                 71.255(5)
_cell_angle_gamma                79.740(6)
_cell_formula_units_Z            2
_cell_length_a                   10.0353(12)
_cell_length_b                   12.2584(14)
_cell_length_c                   13.5290(15)
_cell_measurement_reflns_used    12120
_cell_measurement_temperature    150
_cell_measurement_theta_max      68.00
_cell_measurement_theta_min      3.96
_cell_volume                     1434.6(3)
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS, 2006a)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_molecular_graphics    'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.869
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Helios optics'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_sigmaI/netI    0.0308
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23597
_diffrn_reflns_theta_full        68.23
_diffrn_reflns_theta_max         68.23
_diffrn_reflns_theta_min         3.96
_diffrn_standards_decay_%        47.00
_diffrn_standards_interval_time  900
_diffrn_standards_number         165
_exptl_absorpt_coefficient_mu    0.491
_exptl_absorpt_correction_T_max  0.9568
_exptl_absorpt_correction_T_min  0.8183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 2007)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             526
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.243
_refine_diff_density_min         -0.209
_refine_diff_density_rms         0.030
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         4564
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0770P)²+0.1754P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1360
_reflns_number_gt                4044
_reflns_number_total             4564
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            deposit.cif
_cod_data_source_block           PPB2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4500035
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.59003(14) 0.79855(12) 0.02567(11) 0.0514(3) Uani 1 1 d . . .
C2 C 0.51120(14) 0.76101(12) 0.13935(11) 0.0520(3) Uani 1 1 d . . .
C3 C 0.39349(14) 0.69205(12) 0.17586(11) 0.0518(3) Uani 1 1 d . . .
C4 C 0.35271(14) 0.66277(12) 0.09966(11) 0.0518(3) Uani 1 1 d . . .
C5 C 0.42743(14) 0.70703(12) -0.01526(11) 0.0517(3) Uani 1 1 d . . .
C6 C 0.54541(14) 0.77234(12) -0.04861(11) 0.0537(3) Uani 1 1 d . . .
H6 H 0.5977 0.8002 -0.1259 0.064 Uiso 1 1 calc R . .
C10 C 0.72134(15) 0.86534(13) -0.02049(11) 0.0539(3) Uani 1 1 d . . .
C11 C 0.84542(16) 0.81605(16) -0.07155(13) 0.0686(4) Uani 1 1 d . . .
H11 H 0.8462 0.7401 -0.0751 0.082 Uiso 1 1 calc R . .
C12 C 0.96864(19) 0.8767(2) -0.11759(15) 0.0886(6) Uani 1 1 d . . .
H12 H 1.0535 0.8415 -0.1514 0.106 Uiso 1 1 calc R . .
C13 C 0.9692(2) 0.9864(2) -0.11472(16) 0.0930(7) Uani 1 1 d . . .
H13 H 1.0538 1.0278 -0.1466 0.112 Uiso 1 1 calc R . .
C14 C 0.8462(2) 1.03677(17) -0.06534(16) 0.0856(6) Uani 1 1 d . . .
H14 H 0.8459 1.1137 -0.0640 0.103 Uiso 1 1 calc R . .
C15 C 0.72280(18) 0.97654(14) -0.01750(14) 0.0666(4) Uani 1 1 d . . .
H15 H 0.6388 1.0117 0.0175 0.080 Uiso 1 1 calc R . .
C20 C 0.55266(16) 0.79382(13) 0.21996(11) 0.0598(4) Uani 1 1 d . . .
C21 C 0.68409(19) 0.75791(16) 0.23972(13) 0.0730(5) Uani 1 1 d . . .
H21 H 0.7489 0.7116 0.2017 0.088 Uiso 1 1 calc R . .
C22 C 0.7213(3) 0.7891(2) 0.31431(18) 0.0984(7) Uani 1 1 d . . .
H22 H 0.8113 0.7637 0.3276 0.118 Uiso 1 1 calc R . .
C23 C 0.6288(4) 0.8566(2) 0.36936(18) 0.1147(9) Uani 1 1 d . . .
H23 H 0.6545 0.8774 0.4209 0.138 Uiso 1 1 calc R . .
C24 C 0.4996(3) 0.8936(2) 0.34952(17) 0.1060(8) Uani 1 1 d . . .
H24 H 0.4360 0.9408 0.3871 0.127 Uiso 1 1 calc R . .
C25 C 0.4608(2) 0.86292(16) 0.27516(14) 0.0782(5) Uani 1 1 d . . .
H25 H 0.3709 0.8893 0.2619 0.094 Uiso 1 1 calc R . .
C30 C 0.31251(15) 0.64552(13) 0.29807(11) 0.0558(4) Uani 1 1 d . . .
C31 C 0.37702(18) 0.56502(15) 0.37831(12) 0.0664(4) Uani 1 1 d . . .
H31 H 0.4737 0.5410 0.3557 0.080 Uiso 1 1 calc R . .
C32 C 0.3023(2) 0.51905(17) 0.49113(13) 0.0799(5) Uani 1 1 d . . .
H32 H 0.3475 0.4632 0.5454 0.096 Uiso 1 1 calc R . .
C33 C 0.1630(2) 0.5541(2) 0.52466(14) 0.0877(6) Uani 1 1 d . . .
H33 H 0.1118 0.5228 0.6021 0.105 Uiso 1 1 calc R . .
C34 C 0.0982(2) 0.6339(2) 0.44652(15) 0.0856(6) Uani 1 1 d . . .
H34 H 0.0017 0.6578 0.4700 0.103 Uiso 1 1 calc R . .
C35 C 0.17206(17) 0.68050(16) 0.33287(13) 0.0704(4) Uani 1 1 d . . .
H35 H 0.1261 0.7363 0.2792 0.084 Uiso 1 1 calc R . .
C40 C 0.23594(14) 0.58032(13) 0.14043(11) 0.0548(4) Uani 1 1 d . . .
C41 C 0.25034(16) 0.46199(14) 0.21254(12) 0.0629(4) Uani 1 1 d . . .
H41 H 0.3304 0.4358 0.2410 0.075 Uiso 1 1 calc R . .
C42 C 0.14919(19) 0.38167(16) 0.24334(15) 0.0755(5) Uani 1 1 d . . .
H42 H 0.1600 0.3010 0.2929 0.091 Uiso 1 1 calc R . .
C43 C 0.03273(18) 0.41879(18) 0.20204(17) 0.0813(6) Uani 1 1 d . . .
H43 H -0.0356 0.3634 0.2218 0.098 Uiso 1 1 calc R . .
C44 C 0.01615(17) 0.53626(18) 0.13228(16) 0.0762(5) Uani 1 1 d . . .
H44 H -0.0648 0.5623 0.1049 0.091 Uiso 1 1 calc R . .
C45 C 0.11693(15) 0.61670(16) 0.10169(13) 0.0646(4) Uani 1 1 d . . .
H45 H 0.1043 0.6977 0.0536 0.078 Uiso 1 1 calc R . .
C50 C 0.39050(14) 0.68793(14) -0.10516(11) 0.0554(4) Uani 1 1 d . . .
C51 C 0.36866(15) 0.57569(15) -0.09797(13) 0.0614(4) Uani 1 1 d . . .
H51 H 0.3710 0.5073 -0.0313 0.074 Uiso 1 1 calc R . .
C52 C 0.34365(16) 0.56303(18) -0.18723(16) 0.0749(5) Uani 1 1 d . . .
H52 H 0.3282 0.4859 -0.1810 0.090 Uiso 1 1 calc R . .
C53 C 0.34079(19) 0.6605(2) -0.28497(16) 0.0857(6) Uani 1 1 d . . .
H53 H 0.3244 0.6511 -0.3463 0.103 Uiso 1 1 calc R . .
C54 C 0.3619(2) 0.7717(2) -0.29278(15) 0.0864(6) Uani 1 1 d . . .
H54 H 0.3600 0.8396 -0.3600 0.104 Uiso 1 1 calc R . .
C55 C 0.38581(18) 0.78591(16) -0.20378(12) 0.0700(4) Uani 1 1 d . . .
H55 H 0.3992 0.8636 -0.2102 0.084 Uiso 1 1 calc R . .
C60 C 0.0949(4) 0.9002(3) 0.5011(2) 0.1252(11) Uani 0.80 1 d PD . 1
H60 H 0.1612 0.8345 0.5004 0.150 Uiso 0.80 1 calc PR . 1
C61 C 0.0392(5) 0.9647(4) 0.4109(3) 0.1484(17) Uani 0.80 1 d PD A 1
H61 H 0.0633 0.9392 0.3495 0.178 Uiso 0.80 1 calc PR A 1
C62 C -0.0508(5) 1.0653(4) 0.4074(3) 0.1532(17) Uani 0.80 1 d PD . 1
H62 H -0.0822 1.1108 0.3420 0.184 Uiso 0.80 1 calc PR . 1
C70 C -0.132(2) 0.987(2) 0.525(2) 0.123(4) Uiso 0.10 1 d PG B -2
H70 H -0.2243 0.9601 0.5478 0.148 Uiso 0.10 1 calc PR B -2
C71 C -0.042(3) 0.993(2) 0.420(2) 0.123(4) Uiso 0.10 1 d PG B -2
H71 H -0.0735 0.9713 0.3717 0.148 Uiso 0.10 1 calc PR B -2
C72 C 0.093(3) 1.032(2) 0.3857(19) 0.123(4) Uiso 0.10 1 d PG B -2
H72 H 0.1544 1.0366 0.3142 0.148 Uiso 0.10 1 calc PR B -2
C73 C 0.139(2) 1.064(2) 0.456(2) 0.123(4) Uiso 0.10 1 d PG B -2
H73 H 0.2316 1.0906 0.4329 0.148 Uiso 0.10 1 calc PR B -2
C74 C 0.050(3) 1.057(2) 0.561(2) 0.123(4) Uiso 0.10 1 d PG B -2
H74 H 0.0809 1.0794 0.6090 0.148 Uiso 0.10 1 calc PR B -2
C75 C -0.086(3) 1.019(2) 0.595(2) 0.123(4) Uiso 0.10 1 d PG B -2
H75 H -0.1471 1.0142 0.6665 0.148 Uiso 0.10 1 calc PR B -2
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 C1 C2 . . 118.93(11) y
C6 C1 C10 . . 117.56(11) y
C2 C1 C10 . . 123.51(11) y
C1 C2 C3 . . 119.06(11) y
C1 C2 C20 . . 119.99(11) y
C3 C2 C20 . . 120.95(11) y
C4 C3 C2 . . 121.07(11) y
C4 C3 C30 . . 119.00(11) y
C2 C3 C30 . . 119.90(11) y
C5 C4 C3 . . 119.28(11) y
C5 C4 C40 . . 119.75(11) y
C3 C4 C40 . . 120.90(11) y
C6 C5 C4 . . 118.41(12) y
C6 C5 C50 . . 117.04(11) y
C4 C5 C50 . . 124.55(11) y
C1 C6 C5 . . 123.08(12) y
C1 C6 H6 . . 118.5 ?
C5 C6 H6 . . 118.5 ?
C15 C10 C11 . . 118.62(13) y
C15 C10 C1 . . 122.49(14) y
C11 C10 C1 . . 118.85(13) y
C10 C11 C12 . . 120.44(17) y
C10 C11 H11 . . 119.8 ?
C12 C11 H11 . . 119.8 ?
C13 C12 C11 . . 120.61(19) y
C13 C12 H12 . . 119.7 ?
C11 C12 H12 . . 119.7 ?
C12 C13 C14 . . 119.42(16) y
C12 C13 H13 . . 120.3 ?
C14 C13 H13 . . 120.3 ?
C13 C14 C15 . . 120.68(18) y
C13 C14 H14 . . 119.7 ?
C15 C14 H14 . . 119.7 ?
C10 C15 C14 . . 120.23(18) y
C10 C15 H15 . . 119.9 ?
C14 C15 H15 . . 119.9 ?
C25 C20 C21 . . 118.63(15) y
C25 C20 C2 . . 120.35(15) y
C21 C20 C2 . . 121.02(14) y
C22 C21 C20 . . 120.4(2) y
C22 C21 H21 . . 119.8 ?
C20 C21 H21 . . 119.8 ?
C23 C22 C21 . . 120.4(2) y
C23 C22 H22 . . 119.8 ?
C21 C22 H22 . . 119.8 ?
C24 C23 C22 . . 119.61(19) y
C24 C23 H23 . . 120.2 ?
C22 C23 H23 . . 120.2 ?
C23 C24 C25 . . 120.7(2) y
C23 C24 H24 . . 119.7 ?
C25 C24 H24 . . 119.7 ?
C24 C25 C20 . . 120.2(2) y
C24 C25 H25 . . 119.9 ?
C20 C25 H25 . . 119.9 ?
C31 C30 C35 . . 118.73(13) y
C31 C30 C3 . . 120.23(13) y
C35 C30 C3 . . 121.04(14) y
C30 C31 C32 . . 120.75(17) y
C30 C31 H31 . . 119.6 ?
C32 C31 H31 . . 119.6 ?
C33 C32 C31 . . 120.04(18) y
C33 C32 H32 . . 120 ?
C31 C32 H32 . . 120 ?
C34 C33 C32 . . 119.85(15) y
C34 C33 H33 . . 120.1 ?
C32 C33 H33 . . 120.1 ?
C33 C34 C35 . . 120.67(18) y
C33 C34 H34 . . 119.7 ?
C35 C34 H34 . . 119.7 ?
C30 C35 C34 . . 119.96(18) y
C30 C35 H35 . . 120 ?
C34 C35 H35 . . 120 ?
C45 C40 C41 . . 118.49(13) y
C45 C40 C4 . . 121.53(13) y
C41 C40 C4 . . 119.83(13) y
C42 C41 C40 . . 120.70(16) y
C42 C41 H41 . . 119.6 ?
C40 C41 H41 . . 119.6 ?
C43 C42 C41 . . 120.05(17) y
C43 C42 H42 . . 120 ?
C41 C42 H42 . . 120 ?
C44 C43 C42 . . 119.71(15) y
C44 C43 H43 . . 120.1 ?
C42 C43 H43 . . 120.1 ?
C43 C44 C45 . . 120.29(17) y
C43 C44 H44 . . 119.9 ?
C45 C44 H44 . . 119.9 ?
C44 C45 C40 . . 120.73(17) y
C44 C45 H45 . . 119.6 ?
C40 C45 H45 . . 119.6 ?
C55 C50 C51 . . 118.19(13) y
C55 C50 C5 . . 118.44(13) y
C51 C50 C5 . . 123.25(13) y
C52 C51 C50 . . 120.42(16) y
C52 C51 H51 . . 119.8 ?
C50 C51 H51 . . 119.8 ?
C53 C52 C51 . . 120.88(16) y
C53 C52 H52 . . 119.6 ?
C51 C52 H52 . . 119.6 ?
C54 C53 C52 . . 119.14(15) y
C54 C53 H53 . . 120.4 ?
C52 C53 H53 . . 120.4 ?
C53 C54 C55 . . 120.62(18) y
C53 C54 H54 . . 119.7 ?
C55 C54 H54 . . 119.7 ?
C54 C55 C50 . . 120.75(16) y
C54 C55 H55 . . 119.6 ?
C50 C55 H55 . . 119.6 ?
C61 C60 C62 . 2_576 117.8(3) y
C61 C60 H60 . . 121.1 ?
C62 C60 H60 2_576 . 121.1 ?
C60 C61 C62 . . 122.0(3) y
C60 C61 H61 . . 119 ?
C62 C61 H61 . . 119 ?
C60 C62 C61 2_576 . 120.2(3) y
C60 C62 H62 2_576 . 119.9 ?
C61 C62 H62 . . 119.9 ?
C71 C70 C75 . . 120 y
C71 C70 H70 . . 120 ?
C75 C70 H70 . . 120 ?
C70 C71 C72 . . 120 y
C70 C71 H71 . . 120 ?
C72 C71 H71 . . 120 ?
C73 C72 C71 . . 120 y
C73 C72 H72 . . 120 ?
C71 C72 H72 . . 120 ?
C72 C73 C74 . . 120 y
C72 C73 H73 . . 120 ?
C74 C73 H73 . . 120 ?
C75 C74 C73 . . 120 y
C75 C74 H74 . . 120 ?
C73 C74 H74 . . 120 ?
C74 C75 C70 . . 120 y
C74 C75 H75 . . 120 ?
C70 C75 H75 . . 120 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C6 . 1.3855(18) y
C1 C2 . 1.4030(18) y
C1 C10 . 1.4940(17) y
C2 C3 . 1.4112(18) y
C2 C20 . 1.4954(18) y
C3 C4 . 1.4096(18) y
C3 C30 . 1.4985(17) y
C4 C5 . 1.4057(18) y
C4 C40 . 1.4990(17) y
C5 C6 . 1.3941(18) y
C5 C50 . 1.4921(18) y
C6 H6 . 0.95 ?
C10 C15 . 1.383(2) y
C10 C11 . 1.384(2) y
C11 C12 . 1.386(2) y
C11 H11 . 0.95 ?
C12 C13 . 1.362(3) y
C12 H12 . 0.95 ?
C13 C14 . 1.374(3) y
C13 H13 . 0.95 ?
C14 C15 . 1.384(2) y
C14 H14 . 0.95 ?
C15 H15 . 0.95 ?
C20 C25 . 1.387(2) y
C20 C21 . 1.388(2) y
C21 C22 . 1.383(3) y
C21 H21 . 0.95 ?
C22 C23 . 1.375(4) y
C22 H22 . 0.95 ?
C23 C24 . 1.368(4) y
C23 H23 . 0.95 ?
C24 C25 . 1.386(3) y
C24 H24 . 0.95 ?
C25 H25 . 0.95 ?
C30 C31 . 1.384(2) y
C30 C35 . 1.384(2) y
C31 C32 . 1.385(2) y
C31 H31 . 0.95 ?
C32 C33 . 1.372(3) y
C32 H32 . 0.95 ?
C33 C34 . 1.365(3) y
C33 H33 . 0.95 ?
C34 C35 . 1.391(2) y
C34 H34 . 0.95 ?
C35 H35 . 0.95 ?
C40 C45 . 1.386(2) y
C40 C41 . 1.389(2) y
C41 C42 . 1.386(2) y
C41 H41 . 0.95 ?
C42 C43 . 1.381(3) y
C42 H42 . 0.95 ?
C43 C44 . 1.375(3) y
C43 H43 . 0.95 ?
C44 C45 . 1.385(2) y
C44 H44 . 0.95 ?
C45 H45 . 0.95 ?
C50 C55 . 1.388(2) y
C50 C51 . 1.391(2) y
C51 C52 . 1.381(2) y
C51 H51 . 0.95 ?
C52 C53 . 1.375(3) y
C52 H52 . 0.95 ?
C53 C54 . 1.373(3) y
C53 H53 . 0.95 ?
C54 C55 . 1.382(2) y
C54 H54 . 0.95 ?
C55 H55 . 0.95 ?
C60 C61 . 1.3846(10) y
C60 C62 2_576 1.3849(10) y
C60 H60 . 0.95 ?
C61 C62 . 1.3859(10) y
C61 H61 . 0.95 ?
C62 C60 2_576 1.3849(10) y
C62 H62 . 0.95 ?
C70 C71 . 1.39 y
C70 C75 . 1.39 y
C70 H70 . 0.95 ?
C71 C72 . 1.39 y
C71 H71 . 0.95 ?
C72 C73 . 1.39 y
C72 H72 . 0.95 ?
C73 C74 . 1.39 y
C73 H73 . 0.95 ?
C74 C75 . 1.39 y
C74 H74 . 0.95 ?
C75 H75 . 0.95 ?
