#------------------------------------------------------------------------------
#$Date: 2019-06-20 14:42:34 +0300 (Thu, 20 Jun 2019) $
#$Revision: 216298 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/16/1551687.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_1551687
loop_
_publ_author_name
'SUZUKI, Ryo'
'CHIBA, Yukako'
'YAMAGUCHI, Ryo'
'YOSHIOKA, Daisuke'
'MIKURIYA, Masahiro'
'SAKIYAMA, Hiroshi'
_publ_section_title
;
 Synthesis and Crystal Structure of a Trigonally Compressed Hexakis-DMF
 Manganese(II) Complex
;
_journal_issue                   0
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              11
_journal_paper_doi               10.2116/xraystruct.29.11
_journal_volume                  29
_journal_year                    2013
_chemical_formula_sum            'C66 H82 B2 Mn N6 O6'
_chemical_formula_weight         1131.94
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                112.191(3)
_cell_angle_beta                 93.081(3)
_cell_angle_gamma                108.055(3)
_cell_formula_units_Z            1
_cell_length_a                   10.0628(16)
_cell_length_b                   12.1027(19)
_cell_length_c                   14.881(2)
_cell_measurement_temperature    90(2)
_cell_volume                     1565.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXL'
_computing_publication_material  'Bruker SHELXL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'psi and omega scans'
_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  0.0153
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9731
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.55
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.266
_exptl_absorpt_correction_T_max  0.9128
_exptl_absorpt_correction_T_min  0.8677
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             603
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         6919
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0389
_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)+(0.0464P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                5199
_reflns_number_total             6919
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            29_11_1.txt
_cod_data_source_block           mndmfbp
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/andrius/struct/COD-crude-data/automatic-downloads/current/J-STAGE/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 6524 2018-11-02 12:15:13Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1551687
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
Mn1 Mn 0.5000 -1.0000 0.5000 0.02020(10) Uani 1 2 d S
N1 N 0.30721(13) -1.41009(12) 0.34875(10) 0.0219(3) Uani 1 1 d .
N2 N 0.08245(13) -1.08686(12) 0.33179(10) 0.0220(3) Uani 1 1 d .
N3 N 0.53751(14) -1.05802(12) 0.20870(10) 0.0220(3) Uani 1 1 d .
O1 O 0.41612(12) -1.20412(10) 0.46003(8) 0.0276(3) Uani 1 1 d .
O2 O 0.31156(11) -1.02014(10) 0.40801(8) 0.0259(3) Uani 1 1 d .
O3 O 0.59081(12) -1.02766(10) 0.36834(8) 0.0259(3) Uani 1 1 d .
B1 B 0.73247(17) -0.57143(16) 0.22435(12) 0.0162(3) Uani 1 1 d .
C1 C 0.36454(17) -1.28659(15) 0.37377(12) 0.0235(3) Uani 1 1 d .
H1A H 0.3668 -1.2581 0.3223 0.028 Uiso 1 1 calc R
C2 C 0.30072(19) -1.46053(16) 0.42401(13) 0.0295(4) Uani 1 1 d .
H2A H 0.3382 -1.3896 0.4897 0.044 Uiso 1 1 calc R
H2B H 0.3581 -1.5151 0.4126 0.044 Uiso 1 1 calc R
H2C H 0.2016 -1.5108 0.4203 0.044 Uiso 1 1 calc R
C3 C 0.25581(18) -1.50116(15) 0.24519(12) 0.0290(4) Uani 1 1 d .
H3A H 0.2658 -1.4547 0.2030 0.043 Uiso 1 1 calc R
H3B H 0.1553 -1.5530 0.2355 0.043 Uiso 1 1 calc R
H3C H 0.3118 -1.5569 0.2276 0.043 Uiso 1 1 calc R
C4 C 0.18097(18) -1.06696(15) 0.40399(12) 0.0237(4) Uani 1 1 d .
H4A H 0.1507 -1.0896 0.4561 0.028 Uiso 1 1 calc R
C5 C -0.06992(17) -1.13966(16) 0.33094(14) 0.0300(4) Uani 1 1 d .
H5A H -0.0828 -1.1585 0.3891 0.045 Uiso 1 1 calc R
H5B H -0.1150 -1.2184 0.2707 0.045 Uiso 1 1 calc R
H5C H -0.1140 -1.0774 0.3324 0.045 Uiso 1 1 calc R
C6 C 0.12040(18) -1.05304(16) 0.25058(12) 0.0283(4) Uani 1 1 d .
H6A H 0.2244 -1.0188 0.2589 0.042 Uiso 1 1 calc R
H6B H 0.0816 -0.9883 0.2500 0.042 Uiso 1 1 calc R
H6C H 0.0808 -1.1292 0.1879 0.042 Uiso 1 1 calc R
C7 C 0.55413(16) -0.99320(15) 0.30468(12) 0.0222(3) Uani 1 1 d .
H7A H 0.5372 -0.9151 0.3271 0.027 Uiso 1 1 calc R
C8 C 0.5655(2) -1.17672(16) 0.16933(13) 0.0322(4) Uani 1 1 d .
H8A H 0.5899 -1.1981 0.2238 0.048 Uiso 1 1 calc R
H8B H 0.6451 -1.1664 0.1344 0.048 Uiso 1 1 calc R
H8C H 0.4804 -1.2456 0.1233 0.048 Uiso 1 1 calc R
C9 C 0.49999(17) -1.01058(16) 0.13761(12) 0.0255(4) Uani 1 1 d .
H9A H 0.4841 -0.9305 0.1729 0.038 Uiso 1 1 calc R
H9B H 0.4129 -1.0741 0.0905 0.038 Uiso 1 1 calc R
H9C H 0.5779 -0.9953 0.1019 0.038 Uiso 1 1 calc R
C10 C 0.80443(15) -0.68232(14) 0.19995(11) 0.0179(3) Uani 1 1 d .
C11 C 0.82217(16) -0.73422(15) 0.26758(12) 0.0219(3) Uani 1 1 d .
H11A H 0.8071 -0.6946 0.3327 0.026 Uiso 1 1 calc R
C12 C 0.86090(16) -0.84111(15) 0.24323(12) 0.0253(4) Uani 1 1 d .
H12A H 0.8712 -0.8734 0.2913 0.030 Uiso 1 1 calc R
C13 C 0.88463(16) -0.90075(15) 0.14891(13) 0.0249(4) Uani 1 1 d .
H13A H 0.9103 -0.9743 0.1317 0.030 Uiso 1 1 calc R
C14 C 0.87024(16) -0.85127(15) 0.08015(12) 0.0242(4) Uani 1 1 d .
H14A H 0.8872 -0.8905 0.0155 0.029 Uiso 1 1 calc R
C15 C 0.83108(15) -0.74454(14) 0.10574(11) 0.0200(3) Uani 1 1 d .
H15A H 0.8219 -0.7123 0.0575 0.024 Uiso 1 1 calc R
C16 C 0.56194(15) -0.65584(13) 0.20436(11) 0.0164(3) Uani 1 1 d .
C17 C 0.49326(15) -0.67585(14) 0.27925(11) 0.0183(3) Uani 1 1 d .
H17A H 0.5455 -0.6334 0.3453 0.022 Uiso 1 1 calc R
C18 C 0.35158(16) -0.75537(14) 0.26099(12) 0.0211(3) Uani 1 1 d .
H18A H 0.3093 -0.7663 0.3141 0.025 Uiso 1 1 calc R
C19 C 0.27235(16) -0.81852(14) 0.16534(12) 0.0218(3) Uani 1 1 d .
H19A H 0.1752 -0.8715 0.1525 0.026 Uiso 1 1 calc R
C20 C 0.33708(16) -0.80322(14) 0.08880(12) 0.0208(3) Uani 1 1 d .
H20A H 0.2844 -0.8467 0.0228 0.025 Uiso 1 1 calc R
C21 C 0.47894(15) -0.72444(14) 0.10824(11) 0.0179(3) Uani 1 1 d .
H21A H 0.5215 -0.7167 0.0544 0.022 Uiso 1 1 calc R
C22 C 0.77141(16) -0.49523(13) 0.15281(11) 0.0170(3) Uani 1 1 d .
C23 C 0.67551(16) -0.46235(14) 0.10589(11) 0.0197(3) Uani 1 1 d .
H23A H 0.5797 -0.4856 0.1151 0.024 Uiso 1 1 calc R
C24 C 0.71412(17) -0.39708(14) 0.04628(12) 0.0239(4) Uani 1 1 d .
H24A H 0.6445 -0.3788 0.0146 0.029 Uiso 1 1 calc R
C25 C 0.85382(18) -0.35862(15) 0.03289(12) 0.0258(4) Uani 1 1 d .
H25A H 0.8807 -0.3146 -0.0081 0.031 Uiso 1 1 calc R
C26 C 0.95312(18) -0.38599(15) 0.08076(12) 0.0252(4) Uani 1 1 d .
H26A H 1.0496 -0.3592 0.0735 0.030 Uiso 1 1 calc R
C27 C 0.91266(16) -0.45222(14) 0.13910(12) 0.0209(3) Uani 1 1 d .
H27A H 0.9831 -0.4693 0.1712 0.025 Uiso 1 1 calc R
C28 C 0.78728(15) -0.46044(14) 0.33767(11) 0.0172(3) Uani 1 1 d .
C29 C 0.70295(15) -0.38894(14) 0.38193(11) 0.0185(3) Uani 1 1 d .
H29A H 0.6111 -0.4101 0.3461 0.022 Uiso 1 1 calc R
C30 C 0.74796(16) -0.28906(14) 0.47550(11) 0.0214(3) Uani 1 1 d .
H30A H 0.6871 -0.2440 0.5027 0.026 Uiso 1 1 calc R
C31 C 0.88238(17) -0.25532(15) 0.52917(12) 0.0237(4) Uani 1 1 d .
H31A H 0.9138 -0.1877 0.5936 0.028 Uiso 1 1 calc R
C32 C 0.97009(17) -0.32113(15) 0.48791(12) 0.0235(3) Uani 1 1 d .
H32A H 1.0629 -0.2977 0.5236 0.028 Uiso 1 1 calc R
C33 C 0.92249(16) -0.42163(15) 0.39416(11) 0.0208(3) Uani 1 1 d .
H33A H 0.9844 -0.4657 0.3674 0.025 Uiso 1 1 calc R
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'
Mn Mn 0.3368 0.7283 '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
O3 Mn1 O3 180.000(1) 2_636 .
O3 Mn1 O2 84.90(4) 2_636 2_636
O3 Mn1 O2 95.10(4) . 2_636
O3 Mn1 O2 95.10(4) 2_636 .
O3 Mn1 O2 84.90(4) . .
O2 Mn1 O2 180.0 2_636 .
O3 Mn1 O1 88.41(4) 2_636 .
O3 Mn1 O1 91.59(4) . .
O2 Mn1 O1 90.57(4) 2_636 .
O2 Mn1 O1 89.43(4) . .
O3 Mn1 O1 91.59(4) 2_636 2_636
O3 Mn1 O1 88.41(4) . 2_636
O2 Mn1 O1 89.43(4) 2_636 2_636
O2 Mn1 O1 90.57(4) . 2_636
O1 Mn1 O1 180.0 . 2_636
C1 N1 C2 120.49(14) . .
C1 N1 C3 121.37(14) . .
C2 N1 C3 118.05(13) . .
C4 N2 C6 121.20(13) . .
C4 N2 C5 122.15(14) . .
C6 N2 C5 116.62(13) . .
C7 N3 C8 120.73(14) . .
C7 N3 C9 121.98(13) . .
C8 N3 C9 117.16(13) . .
C1 O1 Mn1 123.98(11) . .
C4 O2 Mn1 133.93(11) . .
C7 O3 Mn1 121.67(10) . .
C28 B1 C22 105.35(12) . .
C28 B1 C16 111.00(12) . .
C22 B1 C16 113.61(12) . .
C28 B1 C10 114.11(12) . .
C22 B1 C10 111.10(12) . .
C16 B1 C10 101.93(11) . .
O1 C1 N1 124.81(15) . .
O1 C1 H1A 117.6 . .
N1 C1 H1A 117.6 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 H3A 109.5 . .
N1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O2 C4 N2 123.89(15) . .
O2 C4 H4A 118.1 . .
N2 C4 H4A 118.1 . .
N2 C5 H5A 109.5 . .
N2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O3 C7 N3 124.30(15) . .
O3 C7 H7A 117.8 . .
N3 C7 H7A 117.8 . .
N3 C8 H8A 109.5 . .
N3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C15 115.36(14) . .
C11 C10 B1 121.56(13) . .
C15 C10 B1 122.37(13) . .
C12 C11 C10 122.72(15) . .
C12 C11 H11A 118.6 . .
C10 C11 H11A 118.6 . .
C13 C12 C11 120.13(15) . .
C13 C12 H12A 119.9 . .
C11 C12 H12A 119.9 . .
C12 C13 C14 118.98(15) . .
C12 C13 H13A 120.5 . .
C14 C13 H13A 120.5 . .
C13 C14 C15 120.09(15) . .
C13 C14 H14A 120.0 . .
C15 C14 H14A 120.0 . .
C14 C15 C10 122.72(15) . .
C14 C15 H15A 118.6 . .
C10 C15 H15A 118.6 . .
C17 C16 C21 115.27(13) . .
C17 C16 B1 122.82(13) . .
C21 C16 B1 121.55(13) . .
C18 C17 C16 122.81(14) . .
C18 C17 H17A 118.6 . .
C16 C17 H17A 118.6 . .
C19 C18 C17 120.01(14) . .
C19 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C20 C19 C18 119.01(14) . .
C20 C19 H19A 120.5 . .
C18 C19 H19A 120.5 . .
C19 C20 C21 120.21(14) . .
C19 C20 H20A 119.9 . .
C21 C20 H20A 119.9 . .
C20 C21 C16 122.65(14) . .
C20 C21 H21A 118.7 . .
C16 C21 H21A 118.7 . .
C23 C22 C27 114.96(14) . .
C23 C22 B1 125.17(13) . .
C27 C22 B1 119.80(13) . .
C24 C23 C22 122.93(15) . .
C24 C23 H23A 118.5 . .
C22 C23 H23A 118.5 . .
C25 C24 C23 120.37(15) . .
C25 C24 H24A 119.8 . .
C23 C24 H24A 119.8 . .
C26 C25 C24 118.40(15) . .
C26 C25 H25A 120.8 . .
C24 C25 H25A 120.8 . .
C25 C26 C27 120.53(15) . .
C25 C26 H26A 119.7 . .
C27 C26 H26A 119.7 . .
C26 C27 C22 122.76(15) . .
C26 C27 H27A 118.6 . .
C22 C27 H27A 118.6 . .
C33 C28 C29 115.09(13) . .
C33 C28 B1 123.88(13) . .
C29 C28 B1 120.81(13) . .
C30 C29 C28 123.04(14) . .
C30 C29 H29A 118.5 . .
C28 C29 H29A 118.5 . .
C29 C30 C31 119.66(14) . .
C29 C30 H30A 120.2 . .
C31 C30 H30A 120.2 . .
C32 C31 C30 119.35(14) . .
C32 C31 H31A 120.3 . .
C30 C31 H31A 120.3 . .
C31 C32 C33 120.06(15) . .
C31 C32 H32A 120.0 . .
C33 C32 H32A 120.0 . .
C32 C33 C28 122.77(14) . .
C32 C33 H33A 118.6 . .
C28 C33 H33A 118.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.1615(11) 2_636
Mn1 O3 2.1615(11) .
Mn1 O2 2.1706(11) 2_636
Mn1 O2 2.1706(11) .
Mn1 O1 2.1709(11) .
Mn1 O1 2.1709(11) 2_636
N1 C1 1.3145(19) .
N1 C2 1.460(2) .
N1 C3 1.461(2) .
N2 C4 1.318(2) .
N2 C6 1.449(2) .
N2 C5 1.464(2) .
N3 C7 1.315(2) .
N3 C8 1.456(2) .
N3 C9 1.463(2) .
O1 C1 1.2461(18) .
O2 C4 1.2474(19) .
O3 C7 1.2505(19) .
B1 C28 1.638(2) .
B1 C22 1.643(2) .
B1 C16 1.645(2) .
B1 C10 1.649(2) .
C1 H1A 0.9500 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9500 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9500 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.402(2) .
C10 C15 1.405(2) .
C11 C12 1.389(2) .
C11 H11A 0.9500 .
C12 C13 1.388(2) .
C12 H12A 0.9500 .
C13 C14 1.388(2) .
C13 H13A 0.9500 .
C14 C15 1.389(2) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C17 1.400(2) .
C16 C21 1.406(2) .
C17 C18 1.394(2) .
C17 H17A 0.9500 .
C18 C19 1.387(2) .
C18 H18A 0.9500 .
C19 C20 1.386(2) .
C19 H19A 0.9500 .
C20 C21 1.391(2) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C23 1.397(2) .
C22 C27 1.409(2) .
C23 C24 1.392(2) .
C23 H23A 0.9500 .
C24 C25 1.388(2) .
C24 H24A 0.9500 .
C25 C26 1.386(2) .
C25 H25A 0.9500 .
C26 C27 1.387(2) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
C28 C33 1.400(2) .
C28 C29 1.410(2) .
C29 C30 1.388(2) .
C29 H29A 0.9500 .
C30 C31 1.389(2) .
C30 H30A 0.9500 .
C31 C32 1.384(2) .
C31 H31A 0.9500 .
C32 C33 1.393(2) .
C32 H32A 0.9500 .
C33 H33A 0.9500 .
