#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/56/2005658.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2005658
loop_
_publ_author_name
'Repo, T.'
'Klinga, M.'
'Leskelä, M.'
'Polamo, M.'
'Rieger, B.'
_publ_section_title
;
 2-(7,9-Diphenylcyclopenta[a]acenaphthadien-6b-yl)-2-phenylethanol
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2910
_journal_page_last               2912
_journal_paper_doi               10.1107/S0108270196007895
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C35 H26 O'
_chemical_formula_weight         462.56
_chemical_name_systematic
;
2-(7,9-Diphenylcyclopenta[a]acenaphthylen-6b-yl)-2-phenylethanol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                108.60(3)
_cell_angle_beta                 111.44(3)
_cell_angle_gamma                89.96(3)
_cell_formula_units_Z            2
_cell_length_a                   11.677(2)
_cell_length_b                   12.431(2)
_cell_length_c                   9.443(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      9.23
_cell_measurement_theta_min      4.85
_cell_volume                     1198.7(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993)'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine--focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0485
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3972
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.65
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      1.28
_exptl_crystal_density_method    flotation
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.21
_refine_ls_extinction_coef       0.012(2)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   1.056
_refine_ls_goodness_of_fit_obs   1.119
_refine_ls_hydrogen_treatment    'H atoms refined as riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         3762
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_restrained_S_obs      1.119
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_obs          0.0563
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.058P)^2^ + 0.340P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1392
_refine_ls_wR_factor_obs         0.1279
_reflns_number_observed          3032
_reflns_number_total             3779
_reflns_observed_criterion       F^2^>2\s(F^2^)
_cod_data_source_file            mu1261.cif
_cod_data_source_block           tr17
_cod_original_cell_volume        1198.7(4)
_cod_original_formula_sum        'C35 H26 O1'
_cod_database_code               2005658
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_type_symbol
O1 1 0.8696(2) 0.8299(2) 0.5653(2) 0.0499(5) Uani d . O
H1 1 0.8225 0.8797 0.5504 0.18(3) Uiso calc R H
C1 1 0.8565(3) 0.7482(2) 0.4122(3) 0.0445(7) Uani d . C
H1A 1 0.7693 0.7114 0.3528 0.059(9) Uiso calc R H
H1B 1 0.9097 0.6878 0.4300 0.071(10) Uiso calc R H
C2 1 0.8927(2) 0.8044(2) 0.3114(3) 0.0333(6) Uani d . C
H2A 1 0.9767 0.8487 0.3826 0.040(7) Uiso calc R H
C3 1 0.9079(2) 0.7166(2) 0.1543(3) 0.0305(5) Uani d . C
C4 1 0.9607(2) 0.7862(2) 0.0807(3) 0.0307(5) Uani d . C
C5 1 0.8680(2) 0.7864(2) -0.0560(3) 0.0317(5) Uani d . C
H5A 1 0.8749 0.8293 -0.1203 0.030(6) Uiso calc R H
C6 1 0.7561(2) 0.7132(2) -0.0938(3) 0.0309(5) Uani d . C
C7 1 0.7802(2) 0.6653(2) 0.0230(3) 0.0306(5) Uani d . C
C8 1 0.7446(2) 0.5550(2) 0.0294(3) 0.0319(5) Uani d . C
C9 1 0.6392(2) 0.4767(2) -0.0439(3) 0.0376(6) Uani d . C
H9A 1 0.5632 0.4938 -0.1100 0.052(8) Uiso calc R H
C10 1 0.6462(3) 0.3703(2) -0.0190(3) 0.0450(7) Uani d . C
H10A 1 0.5733 0.3162 -0.0700 0.045(7) Uiso calc R H
C11 1 0.7537(3) 0.3418(2) 0.0756(3) 0.0450(7) Uani d . C
H11A 1 0.7539 0.2695 0.0897 0.046(7) Uiso calc R H
C12 1 0.9825(3) 0.4015(2) 0.2480(3) 0.0486(7) Uani d . C
H12A 1 0.9926(3) 0.3322(2) 0.2709(3) 0.054(8) Uiso calc R H
C13 1 1.0819(3) 0.4828(2) 0.3074(4) 0.0522(7) Uani d . C
H13A 1 1.1611 0.4680 0.3693 0.066(9) Uiso calc R H
C14 1 1.0719(2) 0.5884(2) 0.2806(3) 0.0446(7) Uani d . C
H14A 1 1.1432 0.6435 0.3240 0.037(7) Uiso calc R H
C15 1 0.9587(2) 0.6106(2) 0.1915(3) 0.0339(6) Uani d . C
C16 1 0.8564(2) 0.5250(2) 0.1265(3) 0.0330(5) Uani d . C
C17 1 0.8642(2) 0.4198(2) 0.1523(3) 0.0392(6) Uani d . C
C18 1 1.1720(2) 0.8587(2) 0.3050(3) 0.0362(6) Uani d . C
H18A 1 1.1506 0.8190 0.3647 0.038(7) Uiso calc R H
C19 1 1.2881(2) 0.9210(2) 0.3702(3) 0.0433(6) Uani d . C
H19A 1 1.3451 0.9237 0.4735 0.054(8) Uiso calc R H
C20 1 1.3221(2) 0.9795(2) 0.2871(3) 0.0441(7) Uani d . C
H20A 1 1.4017 1.0232 0.3330 0.049(8) Uiso calc R H
C21 1 1.2384(2) 0.9737(2) 0.1352(3) 0.0414(6) Uani d . C
H21A 1 1.2612 1.0127 0.0759 0.042(7) Uiso calc R H
C22 1 1.1222(2) 0.9115(2) 0.0701(3) 0.0373(6) Uani d . C
H22A 1 1.0660 0.9089 -0.0338 0.052(8) Uiso calc R H
C23 1 1.0849(2) 0.8524(2) 0.1528(3) 0.0311(5) Uani d . C
C24 1 0.5271(2) 0.6638(2) -0.2419(3) 0.0389(6) Uani d . C
H24A 1 0.5205 0.6617 -0.1454 0.049(8) Uiso calc R H
C25 1 0.4209(2) 0.6398(2) -0.3822(3) 0.0472(7) Uani d . C
H25A 1 0.3425 0.6197 -0.3821 0.048(8) Uiso calc R H
C26 1 0.4293(3) 0.6451(3) -0.5210(3) 0.0521(7) Uani d . C
H26A 1 0.3568 0.6282 -0.6172 0.066(9) Uiso calc R H
C27 1 0.5429(3) 0.6751(2) -0.5206(3) 0.0503(7) Uani d . C
H27A 1 0.5484 0.6802 -0.6162 0.051(8) Uiso calc R H
C28 1 0.6492(2) 0.6977(2) -0.3819(3) 0.0402(6) Uani d . C
H28A 1 0.7271 0.7181 -0.3829 0.034(6) Uiso calc R H
C29 1 0.6428(2) 0.6907(2) -0.2409(3) 0.0332(5) Uani d . C
C30 1 0.6797(3) 0.8678(3) 0.2113(3) 0.0489(7) Uani d . C
H30A 1 0.6433 0.7935 0.1918 0.067(10) Uiso calc R H
C31 1 0.6040(3) 0.9501(3) 0.1789(3) 0.0656(10) Uani d . C
H31A 1 0.5164 0.9312 0.1346 0.069(10) Uiso calc R H
C32 1 0.6548(4) 1.0583(3) 0.2105(4) 0.0778(12) Uani d . C
H32A 1 0.6028 1.1152 0.1912 0.085(11) Uiso calc R H
C33 1 0.7839(4) 1.0845(3) 0.2714(4) 0.0639(10) Uani d . C
H33A 1 0.8205 1.1592 0.2932 0.074(10) Uiso calc R H
C34 1 0.8573(3) 1.0009(2) 0.2994(3) 0.0450(7) Uani d . C
H34A 1 0.9449 1.0185 0.3391 0.063(9) Uiso calc R H
C35 1 0.8073(2) 0.8923(2) 0.2715(3) 0.0356(6) Uani d . C
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'
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_publ_flag
C1 O1 H1 109.5 yes
O1 C1 C2 111.2(2) yes
O1 C1 H1A 109.4 ?
C2 C1 H1A 109.4 ?
O1 C1 H1B 109.4 ?
C2 C1 H1B 109.4 ?
H1A C1 H1B 108.0 ?
C1 C2 C35 111.1(2) yes
C1 C2 C3 114.6(2) yes
C35 C2 C3 112.6(2) yes
C1 C2 H2A 105.9 ?
C35 C2 H2A 105.9 ?
C3 C2 H2A 105.9 ?
C4 C3 C7 102.7(2) yes
C4 C3 C15 125.0(2) yes
C7 C3 C15 101.6(2) yes
C4 C3 C2 107.7(2) yes
C7 C3 C2 109.3(2) yes
C15 C3 C2 109.4(2) yes
C5 C4 C23 125.6(2) ?
C5 C4 C3 107.1(2) ?
C23 C4 C3 126.9(2) ?
C4 C5 C6 112.2(2) ?
C4 C5 H5A 123.9 ?
C6 C5 H5A 123.9 ?
C7 C6 C5 107.6(2) ?
C7 C6 C29 127.9(2) ?
C5 C6 C29 124.3(2) ?
C6 C7 C8 135.8(2) ?
C6 C7 C3 109.5(2) ?
C8 C7 C3 109.3(2) ?
C9 C8 C16 118.5(2) ?
C9 C8 C7 136.0(2) ?
C16 C8 C7 105.2(2) ?
C8 C9 C10 118.7(2) ?
C8 C9 H9A 120.6 ?
C10 C9 H9A 120.6 ?
C11 C10 C9 122.8(2) ?
C11 C10 H10A 118.6 ?
C9 C10 H10A 118.6(2) ?
C10 C11 C17 120.2(2) ?
C10 C11 H11A 119.9 ?
C17 C11 H11A 119.9 ?
C13 C12 C17 120.1(3) ?
C13 C12 H12A 119.9 ?
C17 C12 H12A 119.9 ?
C12 C13 C14 122.4(3) ?
C12 C13 H13A 118.8 ?
C14 C13 H13A 118.8 ?
C15 C14 C13 119.4(3) ?
C15 C14 H14A 120.3 ?
C13 C14 H14A 120.3 ?
C14 C15 C16 118.1(2) ?
C14 C15 C3 134.7(2) ?
C16 C15 C3 106.9(2) ?
C17 C16 C15 123.5(2) ?
C17 C16 C8 123.2(2) ?
C15 C16 C8 113.3(2) ?
C16 C17 C12 116.5(2) ?
C16 C17 C11 116.6(2) ?
C12 C17 C11 126.9(2) ?
C19 C18 C23 121.5(2) ?
C19 C18 H18A 119.2 ?
C23 C18 H18A 119.2 ?
C20 C19 C18 120.8(2) ?
C20 C19 H19A 119.6 ?
C18 C19 H19A 119.6 ?
C19 C20 C21 119.0(2) ?
C19 C20 H20A 120.5 ?
C21 C20 H20A 120.5 ?
C22 C21 C20 120.3(2) ?
C22 C21 H21A 119.9 ?
C20 C21 H21A 119.9 ?
C21 C22 C23 121.8(2) ?
C21 C22 H22A 119.1 ?
C23 C22 H22A 119.1 ?
C22 C23 C18 116.6(2) ?
C22 C23 C4 120.9(2) ?
C18 C23 C4 122.5(2) ?
C29 C24 C25 120.8(2) ?
C29 C24 H24A 119.6 ?
C25 C24 H24A 119.6 ?
C26 C25 C24 120.0(3) ?
C26 C25 H25A 120.0 ?
C24 C25 H25A 120.0 ?
C25 C26 C27 119.9(3) ?
C25 C26 H26A 120.1 ?
C27 C26 H26A 120.1 ?
C26 C27 C28 120.4(3) ?
C26 C27 H27A 119.8 ?
C28 C27 H27A 119.8 ?
C27 C28 C29 120.5(2) ?
C27 C28 H28A 119.7 ?
C29 C28 H28A 119.7 ?
C24 C29 C28 118.4(2) ?
C24 C29 C6 121.1(2) ?
C28 C29 C6 120.6(2) ?
C35 C30 C31 120.9(3) ?
C35 C30 H30A 119.5 ?
C31 C30 H30A 119.5 ?
C32 C31 C30 120.4(3) ?
C32 C31 H31A 119.8 ?
C30 C31 H31A 119.8 ?
C31 C32 C33 119.4(3) ?
C31 C32 H32A 120.3 ?
C33 C32 H32A 120.3 ?
C34 C33 C32 119.3(3) ?
C34 C33 H33A 120.3 ?
C32 C33 H33A 120.3 ?
C35 C34 C33 121.8(3) ?
C35 C34 H34A 119.1 ?
C33 C34 H34A 119.1 ?
C34 C35 C30 118.2(3) ?
C34 C35 C2 119.7(2) ?
C30 C35 C2 122.0(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C1 1.430(3) yes
O1 H1 0.84 yes
C1 C2 1.513(3) yes
C1 H1A 0.99 ?
C1 H1B 0.99 ?
C2 C35 1.523(3) yes
C2 C3 1.607(3) yes
C2 H2A 1.00 ?
C3 C4 1.520(3) yes
C3 C7 1.521(3) yes
C3 C15 1.534(3) yes
C4 C5 1.349(3) yes
C4 C23 1.471(3) yes
C5 C6 1.455(3) yes
C5 H5A 0.95 ?
C6 C7 1.357(3) yes
C6 C29 1.472(3) yes
C7 C8 1.459(3) yes
C8 C9 1.375(3) ?
C8 C16 1.424(3) yes
C9 C10 1.412(4) ?
C9 H9A 0.95 ?
C10 C11 1.372(4) ?
C10 H10A 0.95 ?
C11 C17 1.414(4) ?
C11 H11A 0.95 ?
C12 C13 1.359(4) ?
C12 C17 1.413(4) ?
C12 H12A 0.95 ?
C13 C14 1.411(4) ?
C13 H13A 0.95 ?
C14 C15 1.366(3) ?
C14 H14A 0.95 ?
C15 C16 1.409(3) yes
C16 C17 1.401(3) ?
C18 C19 1.380(3) ?
C18 C23 1.403(3) ?
C18 H18A 0.95 ?
C19 C20 1.376(4) ?
C19 H19A 0.95 ?
C20 C21 1.388(4) ?
C20 H20A 0.95 ?
C21 C22 1.380(3) ?
C21 H21A 0.95 ?
C22 C23 1.398(3) ?
C22 H22A 0.95 ?
C24 C29 1.388(3) ?
C24 C25 1.389(3) ?
C24 H24A 0.95 ?
C25 C26 1.371(4) ?
C25 H25A 0.95 ?
C26 C27 1.377(4) ?
C26 H26A 0.95 ?
C27 C28 1.383(4) ?
C27 H27A 0.95 ?
C28 C29 1.390(3) ?
C28 H28A 0.95 ?
C30 C35 1.381(4) ?
C30 C31 1.386(4) ?
C30 H30A 0.95 ?
C31 C32 1.365(5) ?
C31 H31A 0.95 ?
C32 C33 1.399(5) ?
C32 H32A 0.95 ?
C33 C34 1.376(4) ?
C33 H33A 0.95 ?
C34 C35 1.376(4) ?
C34 H34A 0.95 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
O1 C1 C2 C35 -62.9(3)
O1 C1 C2 C3 168.0(2)
C1 C2 C3 C4 -172.5(2)
C35 C2 C3 C4 59.2(2)
C1 C2 C3 C7 76.6(3)
C35 C2 C3 C7 -51.7(3)
C1 C2 C3 C15 -33.9(3)
C35 C2 C3 C15 -162.2(2)
C7 C3 C4 C5 8.4(2)
C15 C3 C4 C5 122.6(2)
C2 C3 C4 C5 -107.0(2)
C7 C3 C4 C23 -178.0(2)
C15 C3 C4 C23 -63.8(3)
C2 C3 C4 C23 66.6(3)
C23 C4 C5 C6 -179.1(2)
C3 C4 C5 C6 -5.4(3)
C4 C5 C6 C7 -0.3(3)
C4 C5 C6 C29 -175.9(2)
C5 C6 C7 C8 -144.4(3)
C29 C6 C7 C8 31.0(4)
C5 C6 C7 C3 6.0(2)
C29 C6 C7 C3 -178.6(2)
C4 C3 C7 C6 -8.8(2)
C15 C3 C7 C6 -139.1(2)
C2 C3 C7 C6 105.4(2)
C4 C3 C7 C8 149.7(2)
C15 C3 C7 C8 19.5(2)
C2 C3 C7 C8 -96.1(2)
C6 C7 C8 C9 -37.6(5)
C3 C7 C8 C9 171.9(2)
C6 C7 C8 C16 135.3(3)
C3 C7 C8 C16 -15.2(2)
C16 C8 C9 C10 0.3(3)
C7 C8 C9 C10 172.5(2)
C8 C9 C10 C11 0.2(4)
C9 C10 C11 C17 -0.5(4)
C17 C12 C13 C14 1.5(4)
C12 C13 C14 C15 -0.2(4)
C13 C14 C15 C16 -1.5(4)
C13 C14 C15 C3 171.0(3)
C4 C3 C15 C14 55.6(4)
C7 C3 C15 C14 170.3(3)
C2 C3 C15 C14 -74.2(3)
C4 C3 C15 C16 -131.3(2)
C7 C3 C15 C16 -16.6(2)
C2 C3 C15 C16 98.9(2)
C14 C15 C16 C17 1.9(3)
C3 C15 C16 C17 -172.6(2)
C14 C15 C16 C8 -177.0(2)
C3 C15 C16 C8 8.5(3)
C9 C8 C16 C17 -0.5(3)
C7 C8 C16 C17 -174.9(2)
C9 C8 C16 C15 178.4(2)
C7 C8 C16 C15 4.0(3)
C15 C16 C17 C12 -0.5(3)
C8 C16 C17 C12 178.3(2)
C15 C16 C17 C11 -178.6(2)
C8 C16 C17 C11 0.2(3)
C13 C12 C17 C16 -1.2(4)
C13 C12 C17 C11 176.6(3)
C10 C11 C17 C16 0.3(4)
C10 C11 C17 C12 -177.5(2)
C23 C18 C19 C20 0.0(4)
C18 C19 C20 C21 -0.8(4)
C19 C20 C21 C22 1.0(4)
C20 C21 C22 C23 -0.3(4)
C21 C22 C23 C18 -0.5(3)
C21 C22 C23 C4 -179.7(2)
C19 C18 C23 C22 0.6(3)
C19 C18 C23 C4 179.9(2)
C5 C4 C23 C22 -8.5(3)
C3 C4 C23 C22 179.1(2)
C5 C4 C23 C18 172.3(2)
C3 C4 C23 C18 -0.1(4)
C29 C24 C25 C26 -1.5(4)
C24 C25 C26 C27 -0.4(4)
C25 C26 C27 C28 1.3(5)
C26 C27 C28 C29 -0.1(4)
C25 C24 C29 C28 2.6(4)
C25 C24 C29 C6 -178.3(2)
C27 C28 C29 C24 -1.7(4)
C27 C28 C29 C6 179.1(2)
C7 C6 C29 C24 32.9(4)
C5 C6 C29 C24 -152.4(2)
C7 C6 C29 C28 -148.0(3)
C5 C6 C29 C28 26.8(3)
C35 C30 C31 C32 -1.8(4)
C30 C31 C32 C33 1.8(4)
C31 C32 C33 C34 -0.4(4)
C32 C33 C34 C35 -1.1(4)
C33 C34 C35 C30 1.1(4)
C33 C34 C35 C2 -177.3(2)
C31 C30 C35 C34 0.4(4)
C31 C30 C35 C2 178.7(2)
C1 C2 C35 C34 129.9(2)
C3 C2 C35 C34 -100.0(3)
C1 C2 C35 C30 -48.5(3)
C3 C2 C35 C30 81.7(3)
