#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:49:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179395 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/92/4329283.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_4329283
loop_
_publ_author_name
'Guddekoppa S. Ananthnag'
'Seema Kuntavalli'
'Joel T. Mague'
'Maravanji S. Balakrishna'
_publ_section_title
;
 Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric
 Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5919
_journal_page_last               5930
_journal_paper_doi               10.1021/ic300541n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C56 H88 N8 O8 P8'
_chemical_formula_sum            'C56 H88 N8 O8 P8'
_chemical_formula_weight         1249.10
_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                 97.656(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.0072(15)
_cell_length_b                   9.5032(10)
_cell_length_c                   25.390(3)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      2.29
_cell_volume                     3349.6(6)
_computing_cell_refinement       'Bruker SAINT (Bruker-AXS 2008)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2009)'
_computing_data_reduction        'Bruker SAINT (Bruker-AXS 2008)'
_computing_molecular_graphics    'Bruker SHELXTL(Bruker-AXS 2008a)'
_computing_publication_material  'Bruker SHELXTL(Bruker-AXS 2008a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'φ and ω 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  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            55995
_diffrn_reflns_theta_full        28.41
_diffrn_reflns_theta_max         28.41
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.262
_exptl_absorpt_correction_T_max  0.9672
_exptl_absorpt_correction_T_min  0.8956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_description       Block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         8368
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0380
_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)+(0.0406P)²+1.9379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                6688
_reflns_number_total             8368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300541n_si_002_2.cif
_cod_data_source_block           msb405_0m
_cod_database_code               4329283
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
P1 P 0.45036(3) -0.01670(5) 0.295650(17) 0.02352(10) Uani 1 1 d .
P2 P 0.54288(3) 0.14418(4) 0.238243(16) 0.02150(9) Uani 1 1 d .
P3 P 0.82684(3) 0.25861(4) 0.482187(17) 0.02249(10) Uani 1 1 d .
P4 P 0.80186(4) 0.39608(5) 0.566751(18) 0.02956(11) Uani 1 1 d .
O1 O 0.65889(8) 0.16656(12) 0.26049(4) 0.0237(2) Uani 1 1 d .
O2 O 0.73186(8) 0.17482(12) 0.45007(4) 0.0246(2) Uani 1 1 d .
O3 O 0.69640(10) 0.40323(13) 0.58929(5) 0.0341(3) Uani 1 1 d .
O4 O 0.47605(8) 0.08041(13) 0.65327(5) 0.0282(3) Uani 1 1 d .
N1 N 0.52114(10) -0.03081(14) 0.24647(5) 0.0231(3) Uani 1 1 d .
N2 N 0.48393(10) 0.15580(14) 0.29304(5) 0.0227(3) Uani 1 1 d .
N3 N 0.81863(10) 0.22670(15) 0.54758(5) 0.0253(3) Uani 1 1 d .
N4 N 0.78211(11) 0.41768(14) 0.49889(6) 0.0262(3) Uani 1 1 d .
C1 C 0.52646(12) -0.15042(19) 0.20967(7) 0.0284(4) Uani 1 1 d .
C2 C 0.59168(16) -0.1106(2) 0.16887(8) 0.0420(5) Uani 1 1 d .
H2A H 0.5641 -0.0299 0.1481 0.063 Uiso 1 1 calc R
H2B H 0.5975 -0.1905 0.1451 0.063 Uiso 1 1 calc R
H2C H 0.6556 -0.0855 0.1871 0.063 Uiso 1 1 calc R
C3 C 0.56931(16) -0.2761(2) 0.24217(9) 0.0435(5) Uani 1 1 d .
H3A H 0.6337 -0.2517 0.2598 0.065 Uiso 1 1 calc R
H3B H 0.5739 -0.3567 0.2186 0.065 Uiso 1 1 calc R
H3C H 0.5278 -0.3005 0.2690 0.065 Uiso 1 1 calc R
C4 C 0.42572(15) -0.1867(3) 0.18223(10) 0.0533(6) Uani 1 1 d .
H4A H 0.3846 -0.2127 0.2090 0.080 Uiso 1 1 calc R
H4B H 0.4298 -0.2658 0.1579 0.080 Uiso 1 1 calc R
H4C H 0.3982 -0.1048 0.1622 0.080 Uiso 1 1 calc R
C5 C 0.43365(13) 0.27730(19) 0.31349(7) 0.0289(4) Uani 1 1 d .
C6 C 0.32832(14) 0.2812(2) 0.28843(9) 0.0423(5) Uani 1 1 d .
H6A H 0.3250 0.2894 0.2498 0.063 Uiso 1 1 calc R
H6B H 0.2962 0.3623 0.3022 0.063 Uiso 1 1 calc R
H6C H 0.2961 0.1944 0.2972 0.063 Uiso 1 1 calc R
C7 C 0.43923(16) 0.2611(2) 0.37401(7) 0.0374(4) Uani 1 1 d .
H7A H 0.4063 0.1744 0.3822 0.056 Uiso 1 1 calc R
H7B H 0.4081 0.3420 0.3886 0.056 Uiso 1 1 calc R
H7C H 0.5069 0.2566 0.3899 0.056 Uiso 1 1 calc R
C8 C 0.48390(15) 0.41252(19) 0.30004(8) 0.0354(4) Uani 1 1 d .
H8A H 0.5517 0.4091 0.3156 0.053 Uiso 1 1 calc R
H8B H 0.4525 0.4934 0.3145 0.053 Uiso 1 1 calc R
H8C H 0.4797 0.4219 0.2614 0.053 Uiso 1 1 calc R
C9 C 0.70373(11) 0.10477(17) 0.30719(6) 0.0217(3) Uani 1 1 d .
C10 C 0.75792(12) -0.01683(18) 0.30477(7) 0.0256(3) Uani 1 1 d .
H10 H 0.7632 -0.0601 0.2715 0.031 Uiso 1 1 calc R
C11 C 0.80429(13) -0.07434(19) 0.35156(7) 0.0294(4) Uani 1 1 d .
H11 H 0.8416 -0.1574 0.3502 0.035 Uiso 1 1 calc R
C12 C 0.79678(12) -0.01171(18) 0.40039(7) 0.0268(3) Uani 1 1 d .
H12 H 0.8280 -0.0521 0.4323 0.032 Uiso 1 1 calc R
C13 C 0.74311(11) 0.11040(17) 0.40181(6) 0.0223(3) Uani 1 1 d .
C14 C 0.69651(11) 0.16940(17) 0.35549(6) 0.0220(3) Uani 1 1 d .
H14 H 0.6600 0.2533 0.3568 0.026 Uiso 1 1 calc R
C15 C 0.84664(13) 0.09905(19) 0.57950(7) 0.0294(4) Uani 1 1 d .
C16 C 0.76349(15) -0.0059(2) 0.57046(9) 0.0399(5) Uani 1 1 d .
H16A H 0.7060 0.0353 0.5825 0.060 Uiso 1 1 calc R
H16B H 0.7812 -0.0922 0.5906 0.060 Uiso 1 1 calc R
H16C H 0.7499 -0.0283 0.5325 0.060 Uiso 1 1 calc R
C17 C 0.93610(16) 0.0343(3) 0.56197(11) 0.0591(7) Uani 1 1 d .
H17A H 0.9236 0.0110 0.5241 0.089 Uiso 1 1 calc R
H17B H 0.9531 -0.0515 0.5825 0.089 Uiso 1 1 calc R
H17C H 0.9895 0.1015 0.5680 0.089 Uiso 1 1 calc R
C18 C 0.8608(2) 0.1382(3) 0.63800(9) 0.0682(9) Uani 1 1 d .
H18A H 0.9162 0.2015 0.6453 0.102 Uiso 1 1 calc R
H18B H 0.8724 0.0528 0.6595 0.102 Uiso 1 1 calc R
H18C H 0.8028 0.1855 0.6469 0.102 Uiso 1 1 calc R
C19 C 0.78424(13) 0.55348(18) 0.47010(7) 0.0291(4) Uani 1 1 d .
C20 C 0.88756(14) 0.6003(2) 0.46667(9) 0.0384(4) Uani 1 1 d .
H20A H 0.9212 0.6158 0.5026 0.058 Uiso 1 1 calc R
H20B H 0.8867 0.6880 0.4463 0.058 Uiso 1 1 calc R
H20C H 0.9210 0.5272 0.4490 0.058 Uiso 1 1 calc R
C21 C 0.72937(14) 0.5337(2) 0.41475(8) 0.0363(4) Uani 1 1 d .
H21A H 0.7600 0.4593 0.3962 0.054 Uiso 1 1 calc R
H21B H 0.7301 0.6219 0.3948 0.054 Uiso 1 1 calc R
H21C H 0.6626 0.5072 0.4176 0.054 Uiso 1 1 calc R
C22 C 0.73271(18) 0.6618(2) 0.50049(9) 0.0473(6) Uani 1 1 d .
H22A H 0.6680 0.6277 0.5043 0.071 Uiso 1 1 calc R
H22B H 0.7279 0.7510 0.4809 0.071 Uiso 1 1 calc R
H22C H 0.7692 0.6764 0.5358 0.071 Uiso 1 1 calc R
C23 C 0.61945(13) 0.31092(17) 0.57757(7) 0.0272(4) Uani 1 1 d .
C24 C 0.57638(13) 0.2850(2) 0.52612(7) 0.0320(4) Uani 1 1 d .
H24 H 0.5973 0.3326 0.4968 0.038 Uiso 1 1 calc R
C25 C 0.50196(13) 0.1878(2) 0.51853(7) 0.0349(4) Uani 1 1 d .
H25 H 0.4724 0.1680 0.4834 0.042 Uiso 1 1 calc R
C26 C 0.46960(13) 0.1187(2) 0.56086(7) 0.0311(4) Uani 1 1 d .
H26 H 0.4189 0.0518 0.5549 0.037 Uiso 1 1 calc R
C27 C 0.51228(12) 0.14878(18) 0.61192(7) 0.0251(3) Uani 1 1 d .
C28 C 0.58679(13) 0.24537(17) 0.62087(7) 0.0269(4) Uani 1 1 d .
H28 H 0.6152 0.2666 0.6561 0.032 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'
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'
P P 0.1023 0.0942 '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
O4 P1 N1 100.54(7) 3_656 .
O4 P1 N2 103.57(7) 3_656 .
N1 P1 N2 81.77(7) . .
O1 P2 N1 105.38(6) . .
O1 P2 N2 105.73(6) . .
N1 P2 N2 81.40(7) . .
O2 P3 N3 103.78(7) . .
O2 P3 N4 104.38(7) . .
N3 P3 N4 80.87(7) . .
O3 P4 N3 107.48(7) . .
O3 P4 N4 108.02(7) . .
N3 P4 N4 80.61(7) . .
C9 O1 P2 122.97(10) . .
C13 O2 P3 117.54(10) . .
C23 O3 P4 127.02(11) . .
C27 O4 P1 120.70(11) . 3_656
C1 N1 P1 127.43(11) . .
C1 N1 P2 130.23(11) . .
P1 N1 P2 98.27(7) . .
C5 N2 P1 126.00(11) . .
C5 N2 P2 129.61(11) . .
P1 N2 P2 97.73(7) . .
C15 N3 P3 129.05(12) . .
C15 N3 P4 130.71(12) . .
P3 N3 P4 98.02(7) . .
C19 N4 P3 127.83(11) . .
C19 N4 P4 125.83(12) . .
P3 N4 P4 97.33(7) . .
N1 C1 C2 108.95(14) . .
N1 C1 C4 109.89(15) . .
C2 C1 C4 110.39(17) . .
N1 C1 C3 107.98(15) . .
C2 C1 C3 109.56(16) . .
C4 C1 C3 110.02(18) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 C8 108.84(14) . .
N2 C5 C6 110.52(15) . .
C8 C5 C6 109.58(16) . .
N2 C5 C7 108.01(14) . .
C8 C5 C7 110.17(16) . .
C6 C5 C7 109.69(16) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C14 C9 C10 120.82(15) . .
C14 C9 O1 119.17(14) . .
C10 C9 O1 119.96(14) . .
C11 C10 C9 119.07(16) . .
C11 C10 H10 120.5 . .
C9 C10 H10 120.5 . .
C10 C11 C12 120.79(16) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C13 C12 C11 119.14(16) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C14 C13 C12 120.85(15) . .
C14 C13 O2 118.15(14) . .
C12 C13 O2 120.98(15) . .
C13 C14 C9 119.32(15) . .
C13 C14 H14 120.3 . .
C9 C14 H14 120.3 . .
N3 C15 C17 109.93(16) . .
N3 C15 C18 108.95(16) . .
C17 C15 C18 112.4(2) . .
N3 C15 C16 108.14(15) . .
C17 C15 C16 109.55(18) . .
C18 C15 C16 107.71(18) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N4 C19 C21 107.86(15) . .
N4 C19 C22 107.20(14) . .
C21 C19 C22 109.63(17) . .
N4 C19 C20 111.25(15) . .
C21 C19 C20 110.45(16) . .
C22 C19 C20 110.36(17) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 O3 122.77(15) . .
C24 C23 C28 121.13(17) . .
O3 C23 C28 116.09(16) . .
C23 C24 C25 118.29(16) . .
C23 C24 H24 120.9 . .
C25 C24 H24 120.9 . .
C26 C25 C24 121.67(18) . .
C26 C25 H25 119.2 . .
C24 C25 H25 119.2 . .
C27 C26 C25 118.93(18) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C26 C27 C28 120.84(15) . .
C26 C27 O4 117.17(16) . .
C28 C27 O4 121.98(16) . .
C27 C28 C23 119.09(17) . .
C27 C28 H28 120.5 . .
C23 C28 H28 120.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O4 1.6599(12) 3_656
P1 N1 1.7001(14) .
P1 N2 1.7091(15) .
P2 O1 1.6613(12) .
P2 N1 1.7084(14) .
P2 N2 1.7136(14) .
P3 O2 1.6674(12) .
P3 N3 1.7067(15) .
P3 N4 1.7113(15) .
P4 O3 1.6551(14) .
P4 N3 1.7069(15) .
P4 N4 1.7204(15) .
O1 C9 1.3954(19) .
O2 C13 1.3972(19) .
O3 C23 1.391(2) .
O4 C27 1.3869(19) .
O4 P1 1.6599(12) 3_656
N1 C1 1.479(2) .
N2 C5 1.482(2) .
N3 C15 1.482(2) .
N4 C19 1.486(2) .
C1 C2 1.518(3) .
C1 C4 1.528(3) .
C1 C3 1.528(3) .
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 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C8 1.525(3) .
C5 C6 1.527(3) .
C5 C7 1.536(2) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C14 1.387(2) .
C9 C10 1.389(2) .
C10 C11 1.388(2) .
C10 H10 0.9500 .
C11 C12 1.392(2) .
C11 H11 0.9500 .
C12 C13 1.386(2) .
C12 H12 0.9500 .
C13 C14 1.385(2) .
C14 H14 0.9500 .
C15 C17 1.515(3) .
C15 C18 1.519(3) .
C15 C16 1.528(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C21 1.521(3) .
C19 C22 1.525(3) .
C19 C20 1.528(3) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.386(3) .
C23 C28 1.393(2) .
C24 C25 1.387(3) .
C24 H24 0.9500 .
C25 C26 1.386(2) .
C25 H25 0.9500 .
C26 C27 1.383(3) .
C26 H26 0.9500 .
C27 C28 1.386(2) .
C28 H28 0.9500 .
