#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:30:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178785 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/39/4103974.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_4103974
loop_
_publ_author_name
'Monica Carreira'
'Manutsavin Charernsuk'
'Michael Eberhard'
'Natalie Fey'
'Roel van Ginkel'
'Alex Hamilton'
'Wilhelmus P. Mul'
'A. Guy Orpen'
'Hirihataya Phetmung'
'Paul G. Pringle'
_publ_section_title
;
 Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of
 n-Butylphobane and a Comparison of their Donor Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3078
_journal_page_last               3092
_journal_paper_doi               10.1021/ja808807s
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C24 H46 Cl2 P2 Pt'
_chemical_formula_sum            'C24 H46 Cl2 P2 Pt'
_chemical_formula_weight         662.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.866(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0791(10)
_cell_length_b                   8.1201(3)
_cell_length_c                   19.1417(10)
_cell_measurement_reflns_used    55173
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2645.4(2)
_computing_cell_refinement
; 
DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998) 
;
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
; 
DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998) 
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean '4096x4096pixels / 62x62mm'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
; 
Bruker-Nonius APEX II CCD camera on κ-goniostat 
;
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23275
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    5.637
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.695751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_meas      x
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.639
_refine_diff_density_min         -2.113
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         6020
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0683
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+47.2860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1386
_reflns_number_gt                4147
_reflns_number_total             6020
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja808807s_si_004.cif
_cod_data_source_block           5a7_mcm97
_cod_database_code               4103974
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt2 Pt 0.5000 0.5000 0.0000 0.0320(3) Uani 1 2 d S
Pt1 Pt 1.0000 1.0000 0.0000 0.0255(2) Uani 1 2 d S
P1 P 0.9483(3) 0.8039(5) 0.0504(3) 0.0278(11) Uani 1 1 d .
P2 P 0.4503(3) 0.6964(5) 0.0538(3) 0.0279(11) Uani 1 1 d .
C5 C 0.8889(11) 0.878(2) 0.0980(12) 0.037(4) Uani 1 1 d .
H5 H 0.8533 0.9686 0.0660 0.044 Uiso 1 1 calc R
C17 C 0.4038(9) 0.612(2) 0.1114(10) 0.029(4) Uani 1 1 d .
H17 H 0.4365 0.5192 0.1444 0.035 Uiso 1 1 calc R
C20 C 0.3479(11) 0.995(2) 0.0801(12) 0.047(5) Uani 1 1 d .
H20A H 0.4035 1.0253 0.1136 0.056 Uiso 1 1 calc R
H20B H 0.3159 1.0940 0.0761 0.056 Uiso 1 1 calc R
C13 C 0.5221(10) 0.851(2) 0.1040(11) 0.043(4) Uani 1 1 d .
H13A H 0.5156 0.9396 0.0658 0.052 Uiso 1 1 calc R
H13B H 0.5095 0.9002 0.1443 0.052 Uiso 1 1 calc R
C23 C 0.2983(11) 0.653(3) -0.0292(11) 0.055(5) Uani 1 1 d .
H23A H 0.2499 0.7090 -0.0351 0.066 Uiso 1 1 calc R
H23B H 0.2846 0.5835 -0.0762 0.066 Uiso 1 1 calc R
C21 C 0.3391(10) 0.9579(18) -0.0028(10) 0.037(4) Uani 1 1 d .
H21A H 0.3700 1.0421 -0.0143 0.044 Uiso 1 1 calc R
H21B H 0.2833 0.9767 -0.0401 0.044 Uiso 1 1 calc R
C11 C 1.0317(11) 0.8497(17) 0.2030(10) 0.039(4) Uani 1 1 d .
H11A H 1.0752 0.9230 0.2081 0.047 Uiso 1 1 calc R
H11B H 1.0456 0.8020 0.2552 0.047 Uiso 1 1 calc R
C8 C 0.9276(11) 0.493(2) 0.1573(14) 0.057(6) Uani 1 1 d .
H8A H 0.8946 0.4544 0.1031 0.068 Uiso 1 1 calc R
H8B H 0.9355 0.3974 0.1922 0.068 Uiso 1 1 calc R
C16 C 0.7171(11) 0.631(3) 0.2484(15) 0.067(7) Uani 1 1 d .
H16A H 0.7280 0.5702 0.2101 0.101 Uiso 1 1 calc R
H16B H 0.7291 0.5605 0.2941 0.101 Uiso 1 1 calc R
H16C H 0.7498 0.7299 0.2649 0.101 Uiso 1 1 calc R
C6 C 0.8416(13) 0.751(2) 0.1167(13) 0.046(6) Uani 1 1 d .
H6A H 0.8079 0.8111 0.1350 0.056 Uiso 1 1 calc R
H6B H 0.8060 0.6968 0.0668 0.056 Uiso 1 1 calc R
C10 C 1.0230(10) 0.709(2) 0.1452(11) 0.037(4) Uani 1 1 d .
H10 H 1.0737 0.7042 0.1417 0.044 Uiso 1 1 calc R
C14 C 0.6292(10) 0.680(2) 0.2108(10) 0.045(4) Uani 1 1 d .
H14A H 0.5961 0.5811 0.1903 0.053 Uiso 1 1 calc R
H14B H 0.6168 0.7307 0.2510 0.053 Uiso 1 1 calc R
C1 C 0.8967(9) 0.6487(17) -0.0256(10) 0.032(3) Uani 1 1 d .
H1A H 0.9349 0.5872 -0.0375 0.039 Uiso 1 1 calc R
H1B H 0.8694 0.5695 -0.0070 0.039 Uiso 1 1 calc R
C4 C 0.7381(12) 0.701(3) -0.2389(11) 0.063(6) Uani 1 1 d .
H4A H 0.7028 0.7678 -0.2260 0.095 Uiso 1 1 calc R
H4B H 0.7073 0.6208 -0.2795 0.095 Uiso 1 1 calc R
H4C H 0.7669 0.7728 -0.2582 0.095 Uiso 1 1 calc R
C9 C 1.0068(10) 0.539(2) 0.1634(9) 0.041(4) Uani 1 1 d .
H9A H 1.0464 0.5139 0.2177 0.050 Uiso 1 1 calc R
H9B H 1.0173 0.4630 0.1287 0.050 Uiso 1 1 calc R
C15 C 0.6108(10) 0.8015(19) 0.1449(12) 0.047(5) Uani 1 1 d .
H15A H 0.6248 0.7519 0.1056 0.056 Uiso 1 1 calc R
H15B H 0.6433 0.9015 0.1658 0.056 Uiso 1 1 calc R
C12 C 0.9557(12) 0.952(2) 0.1762(12) 0.049(5) Uani 1 1 d .
H12A H 0.9661 1.0679 0.1673 0.058 Uiso 1 1 calc R
H12B H 0.9382 0.9516 0.2177 0.058 Uiso 1 1 calc R
C2 C 0.8375(8) 0.7356(13) -0.0987(9) 0.025(3) Uani 1 1 d .
H2A H 0.8649 0.8202 -0.1146 0.029 Uiso 1 1 calc R
H2B H 0.7982 0.7922 -0.0868 0.029 Uiso 1 1 calc R
C24 C 0.3299(9) 0.5422(17) 0.0443(10) 0.032(3) Uani 1 1 d .
H24A H 0.2887 0.5295 0.0619 0.039 Uiso 1 1 calc R
H24B H 0.3416 0.4315 0.0305 0.039 Uiso 1 1 calc R
C18 C 0.3886(13) 0.7372(19) 0.1642(12) 0.041(5) Uani 1 1 d .
H18A H 0.3743 0.6751 0.2004 0.050 Uiso 1 1 calc R
H18B H 0.4384 0.7958 0.1965 0.050 Uiso 1 1 calc R
C3 C 0.7945(9) 0.6130(18) -0.1680(8) 0.034(3) Uani 1 1 d .
H3A H 0.8337 0.5551 -0.1796 0.041 Uiso 1 1 calc R
H3B H 0.7662 0.5295 -0.1527 0.041 Uiso 1 1 calc R
C22 C 0.3623(11) 0.788(2) -0.0231(11) 0.035(4) Uani 1 1 d .
H22 H 0.3665 0.7937 -0.0733 0.042 Uiso 1 1 calc R
C19 C 0.3259(10) 0.864(2) 0.1225(11) 0.042(4) Uani 1 1 d .
H19A H 0.3124 0.9176 0.1613 0.051 Uiso 1 1 calc R
H19B H 0.2781 0.8064 0.0842 0.051 Uiso 1 1 calc R
C7 C 0.8822(13) 0.615(2) 0.1754(15) 0.066(7) Uani 1 1 d .
H7A H 0.9179 0.6683 0.2256 0.079 Uiso 1 1 calc R
H7B H 0.8415 0.5561 0.1842 0.079 Uiso 1 1 calc R
Cl1 Cl 1.0886(3) 0.8016(5) 0.0047(3) 0.0371(10) Uani 1 1 d .
Cl2 Cl 0.5067(3) 0.3014(5) 0.0898(3) 0.0443(12) Uani 1 1 d .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
Cl2 Pt2 Cl2 180.0 . 3_665
Cl2 Pt2 P2 87.39(15) . 3_665
Cl2 Pt2 P2 92.61(15) 3_665 3_665
Cl2 Pt2 P2 92.61(15) . .
Cl2 Pt2 P2 87.39(15) 3_665 .
P2 Pt2 P2 180.00(19) 3_665 .
P1 Pt1 P1 180.0 3_775 .
P1 Pt1 Cl1 86.90(16) 3_775 3_775
P1 Pt1 Cl1 93.10(16) . 3_775
P1 Pt1 Cl1 93.10(16) 3_775 .
P1 Pt1 Cl1 86.90(16) . .
Cl1 Pt1 Cl1 180.0 3_775 .
C1 P1 C5 112.7(7) . .
C1 P1 C10 112.5(8) . .
C5 P1 C10 91.3(9) . .
C1 P1 Pt1 108.7(5) . .
C5 P1 Pt1 117.1(6) . .
C10 P1 Pt1 113.8(5) . .
C13 P2 C22 110.6(8) . .
C13 P2 C17 113.7(8) . .
C22 P2 C17 96.8(8) . .
C13 P2 Pt2 110.8(6) . .
C22 P2 Pt2 109.5(6) . .
C17 P2 Pt2 114.5(5) . .
C6 C5 C12 110.3(17) . .
C6 C5 P1 117.2(12) . .
C12 C5 P1 100.3(12) . .
C6 C5 H5 109.5 . .
C12 C5 H5 109.5 . .
P1 C5 H5 109.5 . .
C24 C17 C18 114.8(15) . .
C24 C17 P2 98.5(11) . .
C18 C17 P2 115.5(11) . .
C24 C17 H17 109.2 . .
C18 C17 H17 109.2 . .
P2 C17 H17 109.2 . .
C19 C20 C21 119.0(16) . .
C19 C20 H20A 107.6 . .
C21 C20 H20A 107.6 . .
C19 C20 H20B 107.6 . .
C21 C20 H20B 107.6 . .
H20A C20 H20B 107.0 . .
C15 C13 P2 118.7(12) . .
C15 C13 H13A 107.6 . .
P2 C13 H13A 107.6 . .
C15 C13 H13B 107.6 . .
P2 C13 H13B 107.6 . .
H13A C13 H13B 107.1 . .
C24 C23 C22 111.1(14) . .
C24 C23 H23A 109.4 . .
C22 C23 H23A 109.4 . .
C24 C23 H23B 109.4 . .
C22 C23 H23B 109.4 . .
H23A C23 H23B 108.0 . .
C20 C21 C22 121.3(13) . .
C20 C21 H21A 107.0 . .
C22 C21 H21A 107.0 . .
C20 C21 H21B 107.0 . .
C22 C21 H21B 107.0 . .
H21A C21 H21B 106.7 . .
C10 C11 C12 112.3(15) . .
C10 C11 H11A 109.1 . .
C12 C11 H11A 109.1 . .
C10 C11 H11B 109.1 . .
C12 C11 H11B 109.1 . .
H11A C11 H11B 107.9 . .
C7 C8 C9 119.7(18) . .
C7 C8 H8A 107.4 . .
C9 C8 H8A 107.4 . .
C7 C8 H8B 107.4 . .
C9 C8 H8B 107.4 . .
H8A C8 H8B 106.9 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C7 C6 C5 120.8(18) . .
C7 C6 H6A 107.1 . .
C5 C6 H6A 107.1 . .
C7 C6 H6B 107.1 . .
C5 C6 H6B 107.1 . .
H6A C6 H6B 106.8 . .
C9 C10 C11 118.9(15) . .
C9 C10 P1 117.1(12) . .
C11 C10 P1 100.3(12) . .
C9 C10 H10 106.5 . .
C11 C10 H10 106.5 . .
P1 C10 H10 106.5 . .
C15 C14 C16 110.7(14) . .
C15 C14 H14A 109.5 . .
C16 C14 H14A 109.5 . .
C15 C14 H14B 109.5 . .
C16 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
C2 C1 P1 108.7(9) . .
C2 C1 H1A 110.0 . .
P1 C1 H1A 110.0 . .
C2 C1 H1B 110.0 . .
P1 C1 H1B 110.0 . .
H1A C1 H1B 108.3 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C10 C9 C8 121.0(15) . .
C10 C9 H9A 107.1 . .
C8 C9 H9A 107.1 . .
C10 C9 H9B 107.1 . .
C8 C9 H9B 107.1 . .
H9A C9 H9B 106.8 . .
C14 C15 C13 112.2(13) . .
C14 C15 H15A 109.2 . .
C13 C15 H15A 109.2 . .
C14 C15 H15B 109.2 . .
C13 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C11 C12 C5 110.0(14) . .
C11 C12 H12A 109.7 . .
C5 C12 H12A 109.7 . .
C11 C12 H12B 109.7 . .
C5 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C1 C2 C3 111.9(10) . .
C1 C2 H2A 109.2 . .
C3 C2 H2A 109.2 . .
C1 C2 H2B 109.2 . .
C3 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
C17 C24 C23 112.6(13) . .
C17 C24 H24A 109.1 . .
C23 C24 H24A 109.1 . .
C17 C24 H24B 109.1 . .
C23 C24 H24B 109.1 . .
H24A C24 H24B 107.8 . .
C19 C18 C17 116.1(17) . .
C19 C18 H18A 108.3 . .
C17 C18 H18A 108.3 . .
C19 C18 H18B 108.3 . .
C17 C18 H18B 108.3 . .
H18A C18 H18B 107.4 . .
C4 C3 C2 110.9(14) . .
C4 C3 H3A 109.5 . .
C2 C3 H3A 109.5 . .
C4 C3 H3B 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 108.1 . .
C21 C22 C23 109.4(15) . .
C21 C22 P2 115.1(13) . .
C23 C22 P2 100.1(11) . .
C21 C22 H22 110.6 . .
C23 C22 H22 110.6 . .
P2 C22 H22 110.6 . .
C18 C19 C20 114.8(15) . .
C18 C19 H19A 108.6 . .
C20 C19 H19A 108.6 . .
C18 C19 H19B 108.6 . .
C20 C19 H19B 108.6 . .
H19A C19 H19B 107.6 . .
C8 C7 C6 119(2) . .
C8 C7 H7A 107.7 . .
C6 C7 H7A 107.7 . .
C8 C7 H7B 107.7 . .
C6 C7 H7B 107.7 . .
H7A C7 H7B 107.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt2 Cl2 2.318(4) .
Pt2 Cl2 2.318(4) 3_665
Pt2 P2 2.321(5) 3_665
Pt2 P2 2.321(5) .
Pt1 P1 2.301(4) 3_775
Pt1 P1 2.301(4) .
Pt1 Cl1 2.308(4) 3_775
Pt1 Cl1 2.308(4) .
P1 C1 1.838(16) .
P1 C5 1.85(2) .
P1 C10 1.891(18) .
P2 C13 1.787(18) .
P2 C22 1.817(18) .
P2 C17 1.833(17) .
C5 C6 1.52(3) .
C5 C12 1.58(3) .
C5 H5 1.0000 .
C17 C24 1.52(2) .
C17 C18 1.55(2) .
C17 H17 1.0000 .
C20 C19 1.51(2) .
C20 C21 1.55(2) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C13 C15 1.56(2) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C23 C24 1.54(2) .
C23 C22 1.61(2) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C21 C22 1.55(2) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C11 C10 1.54(2) .
C11 C12 1.55(2) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C8 C7 1.46(3) .
C8 C9 1.51(2) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C16 C14 1.55(2) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C6 C7 1.51(2) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C10 C9 1.49(2) .
C10 H10 1.0000 .
C14 C15 1.51(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C1 C2 1.52(2) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C4 C3 1.48(2) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C2 C3 1.561(18) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C18 C19 1.50(2) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C22 H22 1.0000 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
