#------------------------------------------------------------------------------
#$Date: 2019-11-23 03:16:29 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231980 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/67/4346784.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_4346784
loop_
_publ_author_name
'Casarrubios, Luis'
'Esteruelas, Miguel A.'
'Larramona, Carmen'
'Muntaner, Jaime G.'
'Oñate, Enrique'
'Sierra, Miguel A.'
_publ_section_title
;
 2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure,
 and Spectroscopic Properties of CC'N-Osmium Complexes.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10998
_journal_page_last               11006
_journal_paper_doi               10.1021/acs.inorgchem.5b02138
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C35 H62 B F4 N O2 Os P2'
_chemical_formula_weight         867.81
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 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                 104.647(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.6959(12)
_cell_length_b                   12.9629(17)
_cell_length_c                   17.039(2)
_cell_measurement_reflns_used    6120
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     1858.3(4)
_computing_cell_refinement       'SAINT+ v. 7.56a (Bruker AXS, 2008)'
_computing_data_collection       'apex2 v. 7.0 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT+ v. 7.56a (Bruker AXS, 2008)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.14 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19216
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.55
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    3.569
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Absorption correction performed with SADABS program. This is based on the
method of Blessing: Blessing, R. H., Acta Crystallogr., Sect. A 1995, 51, 33.

SADABS: Area-Detector Absorption Correction. Bruker-AXS 
within SAINT+ package, v. 7.56a (2008).
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.818
_refine_diff_density_min         -0.983
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         5054
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0399P)²+1.1496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0763
_reflns_number_gt                4553
_reflns_number_total             5054
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02138_si_001.cif
_cod_data_source_block           5-enriquen62p21m
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               4346784
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Os Os 0.76000(2) 0.7500 0.716931(10) 0.01424(6) Uani 1 2 d SD . .
H01 H 0.593(3) 0.7500 0.652(2) 0.017 Uiso 1 2 d SD . .
H02 H 0.594(3) 0.7500 0.739(3) 0.017 Uiso 1 2 d SD . .
P1 P 0.70325(10) 0.56787(6) 0.71183(5) 0.01669(16) Uani 1 1 d . . .
F1 F 0.0893(6) 0.2500 0.7881(4) 0.0871(18) Uani 1 2 d S . .
F2 F 0.2793(4) 0.3359(2) 0.7479(2) 0.0676(9) Uani 1 1 d . . .
F3 F 0.3434(8) 0.2500 0.8657(3) 0.0964(19) Uani 1 2 d S . .
O1 O 1.0649(4) 0.7500 0.6714(2) 0.0208(7) Uani 1 2 d S . .
N1 N 0.8540(5) 0.7500 0.8473(2) 0.0188(8) Uani 1 2 d S . .
B1 B 0.2480(8) 0.2500 0.7876(4) 0.0338(14) Uani 1 2 d S . .
C1 C 0.7926(6) 0.7500 0.5987(3) 0.0181(9) Uani 1 2 d S . .
C2 C 0.6827(6) 0.7500 0.5213(3) 0.0213(10) Uani 1 2 d S . .
H2 H 0.5719 0.7500 0.5178 0.026 Uiso 1 2 calc SR . .
C3 C 0.7351(6) 0.7500 0.4499(3) 0.0261(11) Uani 1 2 d S . .
H3 H 0.6588 0.7500 0.3989 0.031 Uiso 1 2 calc SR . .
C4 C 0.8952(7) 0.7500 0.4517(3) 0.0312(12) Uani 1 2 d S . .
H4 H 0.9282 0.7500 0.4026 0.037 Uiso 1 2 calc SR . .
C5 C 1.0073(6) 0.7500 0.5263(3) 0.0252(10) Uani 1 2 d S . .
H5 H 1.1180 0.7500 0.5296 0.030 Uiso 1 2 calc SR . .
C6 C 0.9510(6) 0.7500 0.5953(3) 0.0208(9) Uani 1 2 d S . .
C7 C 0.9924(5) 0.7500 0.7314(3) 0.0185(9) Uani 1 2 d S . .
C8 C 1.1067(5) 0.7500 0.8138(3) 0.0211(10) Uani 1 2 d S . .
H8A H 1.1754 0.6881 0.8201 0.025 Uiso 0.50 1 calc PR . .
H8B H 1.1754 0.8119 0.8201 0.025 Uiso 0.50 1 calc PR . .
C9 C 1.0149(6) 0.7500 0.8769(3) 0.0227(10) Uani 1 2 d S . .
C10 C 1.0867(7) 0.7500 0.9597(3) 0.0285(11) Uani 1 2 d S . .
H10 H 1.1993 0.7500 0.9786 0.034 Uiso 1 2 calc SR . .
C11 C 0.9921(7) 0.7500 1.0145(3) 0.0323(12) Uani 1 2 d S . .
H11 H 1.0390 0.7500 1.0713 0.039 Uiso 1 2 calc SR . .
C12 C 0.8298(7) 0.7500 0.9851(3) 0.0305(12) Uani 1 2 d S . .
H12 H 0.7626 0.7500 1.0212 0.037 Uiso 1 2 calc SR . .
C13 C 0.7657(7) 0.7500 0.9023(3) 0.0248(10) Uani 1 2 d S . .
H13 H 0.6533 0.7500 0.8828 0.030 Uiso 1 2 calc SR . .
C14 C 0.7746(4) 0.4967(2) 0.6332(2) 0.0205(7) Uani 1 1 d . . .
H14 H 0.7317 0.5351 0.5814 0.025 Uiso 1 1 calc R . .
C15 C 0.7130(5) 0.3851(3) 0.6168(3) 0.0343(9) Uani 1 1 d . . .
H15A H 0.7463 0.3571 0.5703 0.052 Uiso 1 1 calc R . .
H15B H 0.5967 0.3848 0.6050 0.052 Uiso 1 1 calc R . .
H15C H 0.7570 0.3425 0.6648 0.052 Uiso 1 1 calc R . .
C16 C 0.9551(4) 0.4965(3) 0.6465(3) 0.0337(9) Uani 1 1 d . . .
H16A H 1.0019 0.4442 0.6871 0.051 Uiso 1 1 calc R . .
H16B H 0.9975 0.5645 0.6657 0.051 Uiso 1 1 calc R . .
H16C H 0.9818 0.4806 0.5953 0.051 Uiso 1 1 calc R . .
C17 C 0.7719(4) 0.5024(3) 0.8117(2) 0.0244(7) Uani 1 1 d . . .
H17 H 0.7395 0.5490 0.8514 0.029 Uiso 1 1 calc R . .
C18 C 0.6954(5) 0.3972(3) 0.8208(3) 0.0374(10) Uani 1 1 d . . .
H18A H 0.7309 0.3458 0.7870 0.056 Uiso 1 1 calc R . .
H18B H 0.5795 0.4034 0.8036 0.056 Uiso 1 1 calc R . .
H18C H 0.7275 0.3753 0.8777 0.056 Uiso 1 1 calc R . .
C19 C 0.9527(5) 0.4933(3) 0.8413(3) 0.0351(9) Uani 1 1 d . . .
H19A H 0.9828 0.4848 0.9004 0.053 Uiso 1 1 calc R . .
H19B H 1.0022 0.5560 0.8268 0.053 Uiso 1 1 calc R . .
H19C H 0.9890 0.4335 0.8158 0.053 Uiso 1 1 calc R . .
C20 C 0.4870(4) 0.5373(3) 0.6846(2) 0.0224(7) Uani 1 1 d . . .
H20 H 0.4782 0.4605 0.6862 0.027 Uiso 1 1 calc R . .
C21 C 0.4006(4) 0.5796(3) 0.7456(2) 0.0312(8) Uani 1 1 d . . .
H21A H 0.3881 0.6545 0.7388 0.047 Uiso 1 1 calc R . .
H21B H 0.4627 0.5642 0.8008 0.047 Uiso 1 1 calc R . .
H21C H 0.2956 0.5473 0.7362 0.047 Uiso 1 1 calc R . .
C22 C 0.4006(4) 0.5707(3) 0.5986(2) 0.0315(8) Uani 1 1 d . . .
H22A H 0.2899 0.5473 0.5864 0.047 Uiso 1 1 calc R . .
H22B H 0.4533 0.5400 0.5597 0.047 Uiso 1 1 calc R . .
H22C H 0.4033 0.6460 0.5946 0.047 Uiso 1 1 calc R . .
C24 C 0.6113(15) 0.5222(9) 1.0051(10) 0.0874(17) Uiso 0.50 1 d PD A -1
H24A H 0.6533 0.5181 0.9563 0.105 Uiso 0.50 1 calc PR A -1
H24B H 0.7013 0.5289 1.0538 0.105 Uiso 0.50 1 calc PR A -1
C25 C 0.4951(14) 0.6113(11) 0.9988(10) 0.0874(17) Uiso 0.50 1 d PD A -1
H25A H 0.4746 0.6260 1.0523 0.105 Uiso 0.50 1 calc PR A -1
H25B H 0.5374 0.6743 0.9790 0.105 Uiso 0.50 1 calc PR A -1
C26 C 0.3443(15) 0.5754(9) 0.9387(8) 0.0874(17) Uiso 0.50 1 d PD A -1
H26A H 0.2474 0.6075 0.9484 0.105 Uiso 0.50 1 calc PR A -1
H26B H 0.3477 0.5863 0.8816 0.105 Uiso 0.50 1 calc PR A -1
O2 O 0.3600(12) 0.4716(8) 0.9615(6) 0.0874(17) Uiso 0.50 1 d PD A -1
C23 C 0.5095(14) 0.4288(10) 1.0114(10) 0.0874(17) Uiso 0.50 1 d PD A -1
H23A H 0.5436 0.3660 0.9872 0.105 Uiso 0.50 1 calc PR A -1
H23B H 0.5048 0.4147 1.0679 0.105 Uiso 0.50 1 calc PR A -1
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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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'
Os Os -1.2165 7.6030 '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
C7 Os C1 74.80(19) . .
C7 Os N1 76.28(17) . .
C1 Os N1 151.08(18) . .
C7 Os P1 101.45(2) . .
C1 Os P1 92.37(3) . .
N1 Os P1 93.31(3) . .
C7 Os P1 101.45(2) . 4_575
C1 Os P1 92.37(3) . 4_575
N1 Os P1 93.31(3) . 4_575
P1 Os P1 157.07(4) . 4_575
C7 Os H01 144.6(19) . .
C1 Os H01 69.8(18) . .
N1 Os H01 139.1(19) . .
P1 Os H01 80.3(2) . .
P1 Os H01 80.3(2) 4_575 .
C7 Os H02 159.6(18) . .
C1 Os H02 125.6(18) . .
N1 Os H02 83.3(18) . .
P1 Os H02 79.51(17) . .
P1 Os H02 79.51(15) 4_575 .
H01 Os H02 56(2) . .
C14 P1 C17 110.17(16) . .
C14 P1 C20 102.43(16) . .
C17 P1 C20 101.59(16) . .
C14 P1 Os 114.20(11) . .
C17 P1 Os 113.52(12) . .
C20 P1 Os 113.71(11) . .
C7 O1 C6 110.2(4) . .
C13 N1 C9 116.9(4) . .
C13 N1 Os 125.3(3) . .
C9 N1 Os 117.8(3) . .
F2 B1 F2 109.3(5) 4_565 .
F2 B1 F3 109.4(4) 4_565 .
F2 B1 F3 109.4(4) . .
F2 B1 F1 109.1(4) 4_565 .
F2 B1 F1 109.1(4) . .
F3 B1 F1 110.6(6) . .
C6 C1 C2 113.7(4) . .
C6 C1 Os 114.4(3) . .
C2 C1 Os 131.9(4) . .
C3 C2 C1 121.0(5) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C4 C3 C2 121.7(5) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C3 C4 C5 119.2(5) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
C6 C5 C4 117.4(5) . .
C6 C5 H5 121.3 . .
C4 C5 H5 121.3 . .
C5 C6 C1 126.9(5) . .
C5 C6 O1 117.5(4) . .
C1 C6 O1 115.6(4) . .
O1 C7 C8 112.9(4) . .
O1 C7 Os 125.0(3) . .
C8 C7 Os 122.1(3) . .
C9 C8 C7 109.0(4) . .
C9 C8 H8A 109.9 . .
C7 C8 H8A 109.9 . .
C9 C8 H8B 109.9 . .
C7 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
N1 C9 C10 122.1(5) . .
N1 C9 C8 114.8(4) . .
C10 C9 C8 123.1(5) . .
C9 C10 C11 119.4(5) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C12 C11 C10 118.8(5) . .
C12 C11 H11 120.6 . .
C10 C11 H11 120.6 . .
C11 C12 C13 119.1(5) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
N1 C13 C12 123.7(5) . .
N1 C13 H13 118.1 . .
C12 C13 H13 118.1 . .
C16 C14 C15 108.7(3) . .
C16 C14 P1 114.3(2) . .
C15 C14 P1 115.6(2) . .
C16 C14 H14 105.8 . .
C15 C14 H14 105.8 . .
P1 C14 H14 105.8 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
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 . .
C19 C17 C18 109.4(3) . .
C19 C17 P1 113.7(3) . .
C18 C17 P1 116.7(3) . .
C19 C17 H17 105.3 . .
C18 C17 H17 105.3 . .
P1 C17 H17 105.3 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C22 110.1(3) . .
C21 C20 P1 113.2(2) . .
C22 C20 P1 113.5(2) . .
C21 C20 H20 106.5 . .
C22 C20 H20 106.5 . .
P1 C20 H20 106.5 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C23 C24 C25 102.8(11) . .
C23 C24 H24A 111.2 . .
C25 C24 H24A 111.2 . .
C23 C24 H24B 111.2 . .
C25 C24 H24B 111.2 . .
H24A C24 H24B 109.1 . .
C26 C25 C24 105.1(11) . .
C26 C25 H25A 110.7 . .
C24 C25 H25A 110.7 . .
C26 C25 H25B 110.7 . .
C24 C25 H25B 110.7 . .
H25A C25 H25B 108.8 . .
O2 C26 C25 95.7(10) . .
O2 C26 H26A 112.6 . .
C25 C26 H26A 112.6 . .
O2 C26 H26B 112.6 . .
C25 C26 H26B 112.6 . .
H26A C26 H26B 110.1 . .
C26 O2 C23 122.3(9) . .
O2 C23 C24 95.9(9) . .
O2 C23 H23A 112.6 . .
C24 C23 H23A 112.6 . .
O2 C23 H23B 112.6 . .
C24 C23 H23B 112.6 . .
H23A C23 H23B 110.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os C7 1.973(5) .
Os C1 2.104(5) .
Os N1 2.164(4) .
Os P1 2.4090(9) .
Os P1 2.4090(9) 4_575
Os H01 1.583(10) .
Os H02 1.589(10) .
P1 C14 1.858(3) .
P1 C17 1.859(4) .
P1 C20 1.862(3) .
F1 B1 1.382(8) .
F2 B1 1.366(5) .
F3 B1 1.379(8) .
O1 C7 1.329(6) .
O1 C6 1.419(6) .
N1 C13 1.354(6) .
N1 C9 1.361(6) .
B1 F2 1.366(5) 4_565
C1 C6 1.394(7) .
C1 C2 1.419(6) .
C2 C3 1.404(7) .
C2 H2 0.9500 .
C3 C4 1.385(8) .
C3 H3 0.9500 .
C4 C5 1.393(7) .
C4 H4 0.9500 .
C5 C6 1.384(6) .
C5 H5 0.9500 .
C7 C8 1.501(7) .
C8 C9 1.493(7) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.391(7) .
C10 C11 1.393(8) .
C10 H10 0.9500 .
C11 C12 1.373(8) .
C11 H11 0.9500 .
C12 C13 1.379(7) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C16 1.529(5) .
C14 C15 1.543(5) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C19 1.530(5) .
C17 C18 1.543(5) .
C17 H17 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.529(5) .
C20 C22 1.531(5) .
C20 H20 1.0000 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C24 C23 1.5200(11) .
C24 C25 1.5202(10) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.5190(11) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 O2 1.398(9) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
O2 C23 1.470(9) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
