#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:06:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180374 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/43/7204369.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_7204369
loop_
_publ_author_name
'Carl Thirsk'
'Geoffrey E. Hawkes'
'Romano T. Kroemer'
'Klaus R. Liedl'
'Thomas Loerting'
'Rima Nasser'
'Robin G. Pritchard'
'Melanie Steele'
'John E. Warren'
'Andrew Whiting'
_publ_section_title
;
 The structure, modelling and dynamics of
 2,7-diisopropoxy-1,8-diarylnaphthalenes
;
_journal_issue                   9
_journal_name_full               'J. Chem. Soc., Perkin Trans. 2'
_journal_page_first              1510
_journal_page_last               1519
_journal_paper_doi               10.1039/b201235a
_journal_year                    2002
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C32 H36 O4'
_chemical_formula_structural     'C32 H36 O4'
_chemical_formula_sum            'C32 H36 O4'
_chemical_formula_weight         484.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/cifdics/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1
_audit_creation_date             2000-07-10T14:41:03-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 102.19(2)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   22.097(2)
_cell_length_b                   11.505(2)
_cell_length_c                   34.188(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     1.54178
_cell_volume                     8495.5(19)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.92
_diffrn_measured_fraction_theta_max 0.92
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            10030
_diffrn_reflns_theta_full        65.09
_diffrn_reflns_theta_max         65.09
_diffrn_reflns_theta_min         2.64
_exptl_absorpt_coefficient_mu    0.581
_exptl_absorpt_correction_T_max  0.8683
_exptl_absorpt_correction_T_min  0.8007
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.221
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       0.00049(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.269
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         6674
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.269
_refine_ls_R_factor_all          0.1814
_refine_ls_R_factor_gt           0.0816
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0790P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2106
_refine_ls_wR_factor_ref         0.2638
_reflns_number_gt                2842
_reflns_number_total             6674
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201235a.txt
_cod_data_source_block           t
_cod_original_cell_volume        8495.5(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7204369
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5997(2) 0.4015(4) 0.08877(13) 0.0717(13) Uani 1 1 d . . .
C2 C 0.6509(3) 0.3345(5) 0.08851(19) 0.1006(18) Uani 1 1 d . . .
C3 C 0.6485(3) 0.2141(6) 0.0864(2) 0.129(3) Uani 1 1 d . . .
H3 H 0.6842 0.1707 0.0853 0.155 Uiso 1 1 calc R . .
C4 C 0.5942(4) 0.1604(5) 0.08599(17) 0.111(2) Uani 1 1 d . . .
H4 H 0.5925 0.0787 0.0852 0.133 Uiso 1 1 calc R . .
C4A C 0.5399(3) 0.2231(4) 0.08672(14) 0.0808(14) Uani 1 1 d . . .
C5 C 0.4842(3) 0.1628(5) 0.08782(16) 0.0983(19) Uani 1 1 d . . .
H5 H 0.4841 0.0811 0.0882 0.118 Uiso 1 1 calc R . .
C6 C 0.4315(3) 0.2215(5) 0.08834(18) 0.109(2) Uani 1 1 d . . .
H6 H 0.3949 0.1808 0.0891 0.131 Uiso 1 1 calc R . .
C7 C 0.4316(3) 0.3408(5) 0.08783(16) 0.0867(15) Uani 1 1 d . . .
C8 C 0.4843(2) 0.4057(4) 0.08560(12) 0.0678(12) Uani 1 1 d . . .
C8A C 0.5414(2) 0.3451(3) 0.08647(13) 0.0662(12) Uani 1 1 d . . .
C9 C 0.61023(18) 0.5284(4) 0.09623(14) 0.0671(12) Uani 1 1 d . . .
C10 C 0.60469(18) 0.6101(4) 0.06560(13) 0.0684(12) Uani 1 1 d . . .
H10 H 0.5935 0.5839 0.039 0.082 Uiso 1 1 calc R . .
C11 C 0.6146(2) 0.7263(4) 0.07223(13) 0.0693(13) Uani 1 1 d . . .
C12 C 0.6324(2) 0.7636(4) 0.11143(15) 0.0803(14) Uani 1 1 d . . .
C13 C 0.6409(2) 0.6854(4) 0.14299(14) 0.0860(15) Uani 1 1 d . . .
H13 H 0.6542 0.7117 0.1694 0.103 Uiso 1 1 calc R . .
C14 C 0.6297(2) 0.5686(4) 0.13530(14) 0.0772(13) Uani 1 1 d . . .
H14 H 0.6353 0.5156 0.1567 0.093 Uiso 1 1 calc R . .
C15 C 0.6037(2) 0.8128(4) 0.03851(14) 0.0923(16) Uani 1 1 d . . .
H15A H 0.5681 0.8605 0.0401 0.138 Uiso 1 1 calc R . .
H15B H 0.596 0.7718 0.0131 0.138 Uiso 1 1 calc R . .
H15C H 0.6399 0.8619 0.0406 0.138 Uiso 1 1 calc R . .
C16 C 0.6612(4) 0.9237(5) 0.15608(19) 0.175(4) Uani 1 1 d . . .
H16A H 0.6298 0.908 0.1714 0.262 Uiso 1 1 calc R . .
H16B H 0.6682 1.0068 0.1553 0.262 Uiso 1 1 calc R . .
H16C H 0.6994 0.8851 0.1686 0.262 Uiso 1 1 calc R . .
C17 C 0.7498(7) 0.3784(13) 0.0797(4) 0.297(10) Uani 1 1 d . . .
H17 H 0.7689 0.3141 0.0973 0.357 Uiso 1 1 calc R . .
C18 C 0.7997(5) 0.4678(13) 0.0922(4) 0.350(9) Uani 1 1 d . . .
H18A H 0.8276 0.4664 0.0737 0.525 Uiso 1 1 calc R . .
H18B H 0.8227 0.4504 0.119 0.525 Uiso 1 1 calc R . .
H18C H 0.7811 0.5442 0.0918 0.525 Uiso 1 1 calc R . .
C19 C 0.7555(6) 0.3345(12) 0.0454(4) 0.299(7) Uani 1 1 d . . .
H19A H 0.7282 0.268 0.0391 0.449 Uiso 1 1 calc R . .
H19B H 0.798 0.3101 0.0472 0.449 Uiso 1 1 calc R . .
H19C H 0.7446 0.3928 0.0247 0.449 Uiso 1 1 calc R . .
C20 C 0.3217(4) 0.3759(9) 0.0747(3) 0.213(5) Uani 1 1 d . . .
H20 H 0.3141 0.3102 0.0918 0.256 Uiso 1 1 calc R . .
C21 C 0.3014(5) 0.3388(13) 0.0404(3) 0.298(8) Uani 1 1 d . . .
H21A H 0.2949 0.4033 0.0217 0.447 Uiso 1 1 calc R . .
H21B H 0.2624 0.2991 0.0395 0.447 Uiso 1 1 calc R . .
H21C H 0.331 0.285 0.0331 0.447 Uiso 1 1 calc R . .
C22 C 0.2831(4) 0.4722(11) 0.0868(4) 0.282(7) Uani 1 1 d . . .
H22A H 0.2775 0.5332 0.0668 0.423 Uiso 1 1 calc R . .
H22B H 0.3039 0.5037 0.1124 0.423 Uiso 1 1 calc R . .
H22C H 0.243 0.4417 0.0889 0.423 Uiso 1 1 calc R . .
C23 C 0.47449(17) 0.5329(4) 0.07939(13) 0.0584(11) Uani 1 1 d . . .
C24 C 0.47886(19) 0.6123(4) 0.10976(13) 0.0688(12) Uani 1 1 d . . .
H24 H 0.4895 0.5856 0.1363 0.083 Uiso 1 1 calc R . .
C25 C 0.4684(2) 0.7303(4) 0.10306(14) 0.0728(13) Uani 1 1 d . . .
C26 C 0.4513(2) 0.7673(4) 0.06344(14) 0.0730(13) Uani 1 1 d . . .
C27 C 0.4453(2) 0.6911(4) 0.03243(14) 0.0758(13) Uani 1 1 d . . .
H27 H 0.4333 0.7173 0.0059 0.091 Uiso 1 1 calc R . .
C28 C 0.45711(18) 0.5740(4) 0.04049(13) 0.0714(13) Uani 1 1 d . . .
H28 H 0.4532 0.5214 0.0191 0.086 Uiso 1 1 calc R . .
C29 C 0.4761(3) 0.8141(5) 0.13744(15) 0.114(2) Uani 1 1 d . . .
H29A H 0.4906 0.7727 0.1624 0.171 Uiso 1 1 calc R . .
H29B H 0.4366 0.8506 0.1378 0.171 Uiso 1 1 calc R . .
H29C H 0.506 0.8733 0.1344 0.171 Uiso 1 1 calc R . .
C30 C 0.4221(3) 0.9273(5) 0.01879(16) 0.121(2) Uani 1 1 d . . .
H30A H 0.4541 0.912 0.0039 0.181 Uiso 1 1 calc R . .
H30B H 0.4147 1.0104 0.0192 0.181 Uiso 1 1 calc R . .
H30C H 0.3843 0.888 0.006 0.181 Uiso 1 1 calc R . .
O2 O 0.7067(2) 0.3929(4) 0.0932(2) 0.174(2) Uani 1 1 d . . .
O7 O 0.37994(18) 0.4044(4) 0.09037(14) 0.1241(15) Uani 1 1 d . . .
O12 O 0.64078(19) 0.8810(3) 0.11616(11) 0.1123(13) Uani 1 1 d . . .
O26 O 0.44179(17) 0.8858(3) 0.05869(10) 0.1010(12) Uani 1 1 d . . .
C31 C 0.9425(2) 1.1618(4) 0.24850(13) 0.0738(13) Uani 1 1 d . . .
C32 C 0.8897(3) 1.2261(6) 0.24982(17) 0.1002(18) Uani 1 1 d . . .
C33 C 0.8919(4) 1.3463(7) 0.2510(2) 0.126(2) Uani 1 1 d . . .
H33 H 0.8558 1.3883 0.2519 0.151 Uiso 1 1 calc R . .
C34 C 0.9450(4) 1.4046(5) 0.25099(18) 0.120(2) Uani 1 1 d . . .
H34 H 0.9454 1.4863 0.2516 0.144 Uiso 1 1 calc R . .
C34A C 1 1.3423(6) 0.25 0.092(2) Uani 1 2 d S . .
C38A C 1 1.2213(6) 0.25 0.0724(18) Uani 1 2 d S . .
C39 C 0.93154(19) 1.0357(4) 0.24224(14) 0.0681(12) Uani 1 1 d . . .
C40 C 0.9378(2) 0.9556(4) 0.27315(14) 0.0754(13) Uani 1 1 d . . .
H40 H 0.9495 0.9828 0.2996 0.09 Uiso 1 1 calc R . .
C41 C 0.9277(2) 0.8370(4) 0.26708(14) 0.0799(14) Uani 1 1 d . . .
C42 C 0.9089(2) 0.8008(4) 0.22794(15) 0.0833(15) Uani 1 1 d . . .
C43 C 0.9012(2) 0.8756(5) 0.19645(15) 0.0888(15) Uani 1 1 d . . .
H43 H 0.8884 0.8479 0.1701 0.107 Uiso 1 1 calc R . .
C44 C 0.9124(2) 0.9930(4) 0.20359(14) 0.0791(14) Uani 1 1 d . . .
H44 H 0.907 1.0448 0.1819 0.095 Uiso 1 1 calc R . .
C45 C 0.9386(3) 0.7528(5) 0.30197(15) 0.113(2) Uani 1 1 d . . .
H45A H 0.9099 0.6882 0.2959 0.17 Uiso 1 1 calc R . .
H45B H 0.932 0.7923 0.3258 0.17 Uiso 1 1 calc R . .
H45C H 0.9807 0.7239 0.3066 0.17 Uiso 1 1 calc R . .
C46 C 0.8781(4) 0.6391(5) 0.18410(19) 0.166(3) Uani 1 1 d . . .
H46A H 0.8415 0.6825 0.1715 0.249 Uiso 1 1 calc R . .
H46B H 0.8676 0.5575 0.1852 0.249 Uiso 1 1 calc R . .
H46C H 0.9098 0.6482 0.1686 0.249 Uiso 1 1 calc R . .
C47 C 0.7775(4) 1.2019(9) 0.2359(3) 0.170(4) Uani 1 1 d . . .
H47 H 0.7713 1.2715 0.2516 0.204 Uiso 1 1 calc R . .
C48 C 0.7624(5) 1.2351(12) 0.1954(3) 0.308(8) Uani 1 1 d . . .
H48A H 0.7776 1.3131 0.1926 0.462 Uiso 1 1 calc R . .
H48B H 0.7178 1.2335 0.186 0.462 Uiso 1 1 calc R . .
H48C H 0.7815 1.1816 0.1797 0.462 Uiso 1 1 calc R . .
C49 C 0.7361(3) 1.1062(9) 0.2474(3) 0.202(4) Uani 1 1 d . . .
H49A H 0.7543 1.0308 0.2445 0.302 Uiso 1 1 calc R . .
H49B H 0.6954 1.1105 0.2301 0.302 Uiso 1 1 calc R . .
H49C H 0.7326 1.1168 0.275 0.302 Uiso 1 1 calc R . .
O32 O 0.8374(2) 1.1636(4) 0.25109(15) 0.1397(17) Uani 1 1 d . . .
O42 O 0.9004(2) 0.6815(3) 0.22349(11) 0.1221(14) 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
_geom_angle_publ_flag
C2 C1 C8A 118.7(5) . . ?
C2 C1 C9 116.9(4) . . ?
C8A C1 C9 124.0(4) . . ?
C1 C2 O2 116.3(5) . . ?
C1 C2 C3 122.7(6) . . ?
O2 C2 C3 120.9(5) . . ?
C4 C3 C2 118.8(6) . . ?
C3 C4 C4A 121.8(5) . . ?
C4 C4A C8A 119.5(5) . . ?
C4 C4A C5 119.8(5) . . ?
C8A C4A C5 120.6(5) . . ?
C6 C5 C4A 120.8(5) . . ?
C5 C6 C7 119.7(6) . . ?
C6 C7 O7 121.9(5) . . ?
C6 C7 C8 122.5(6) . . ?
O7 C7 C8 115.5(5) . . ?
C7 C8 C8A 118.6(5) . . ?
C7 C8 C23 115.8(4) . . ?
C8A C8 C23 125.5(4) . . ?
C4A C8A C1 118.4(5) . . ?
C4A C8A C8 117.6(5) . . ?
C1 C8A C8 124.0(4) . . ?
C14 C9 C10 117.2(4) . . ?
C14 C9 C1 119.6(4) . . ?
C10 C9 C1 123.1(4) . . ?
C11 C10 C9 123.4(4) . . ?
C10 C11 C12 117.9(4) . . ?
C10 C11 C15 121.8(4) . . ?
C12 C11 C15 120.3(4) . . ?
O12 C12 C11 115.1(4) . . ?
O12 C12 C13 123.8(4) . . ?
C11 C12 C13 121.1(4) . . ?
C14 C13 C12 119.6(4) . . ?
C13 C14 C9 120.8(4) . . ?
O2 C17 C19 131.1(16) . . ?
O2 C17 C18 114.0(10) . . ?
C19 C17 C18 108.4(10) . . ?
C21 C20 O7 126.4(12) . . ?
C21 C20 C22 113.5(9) . . ?
O7 C20 C22 105.3(7) . . ?
C24 C23 C28 117.4(4) . . ?
C24 C23 C8 124.2(4) . . ?
C28 C23 C8 118.4(4) . . ?
C23 C24 C25 123.0(4) . . ?
C24 C25 C26 117.4(4) . . ?
C24 C25 C29 120.7(4) . . ?
C26 C25 C29 121.8(4) . . ?
C27 C26 O26 123.8(4) . . ?
C27 C26 C25 121.5(4) . . ?
O26 C26 C25 114.7(4) . . ?
C26 C27 C28 119.2(4) . . ?
C23 C28 C27 121.6(4) . . ?
C17 O2 C2 132.4(8) . . ?
C20 O7 C7 126.2(6) . . ?
C12 O12 C16 117.3(4) . . ?
C26 O26 C30 116.8(4) . . ?
C32 C31 C38A 119.1(5) . . ?
C32 C31 C39 114.5(5) . . ?
C38A C31 C39 126.2(5) . . ?
O32 C32 C33 123.2(6) . . ?
O32 C32 C31 116.1(6) . . ?
C33 C32 C31 120.6(6) . . ?
C34 C33 C32 121.4(6) . . ?
C33 C34 C34A 119.8(6) . . ?
C38A C34A C34 120.4(4) . 2_755 ?
C38A C34A C34 120.4(4) . . ?
C34 C34A C34 119.3(9) 2_755 . ?
C34A C38A C31 118.5(3) . 2_755 ?
C34A C38A C31 118.5(3) . . ?
C31 C38A C31 122.9(6) 2_755 . ?
C40 C39 C44 116.8(4) . . ?
C40 C39 C31 123.7(4) . . ?
C44 C39 C31 119.5(4) . . ?
C39 C40 C41 123.4(5) . . ?
C42 C41 C40 116.6(5) . . ?
C42 C41 C45 122.3(5) . . ?
C40 C41 C45 121.1(5) . . ?
C43 C42 C41 122.5(5) . . ?
C43 C42 O42 123.1(5) . . ?
C41 C42 O42 114.3(4) . . ?
C42 C43 C44 119.3(5) . . ?
C43 C44 C39 121.3(5) . . ?
O32 C47 C48 117.6(10) . . ?
O32 C47 C49 104.4(7) . . ?
C48 C47 C49 114.7(8) . . ?
C32 O32 C47 124.5(6) . . ?
C42 O42 C46 117.1(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.370(6) . ?
C1 C8A 1.430(6) . ?
C1 C9 1.491(6) . ?
C2 O2 1.383(6) . ?
C2 C3 1.388(7) . ?
C3 C4 1.348(8) . ?
C4 C4A 1.404(7) . ?
C4A C8A 1.404(6) . ?
C4A C5 1.420(7) . ?
C5 C6 1.350(7) . ?
C6 C7 1.373(7) . ?
C7 O7 1.374(6) . ?
C7 C8 1.399(6) . ?
C8 C8A 1.437(6) . ?
C8 C23 1.488(6) . ?
C9 C14 1.393(6) . ?
C9 C10 1.393(6) . ?
C10 C11 1.366(6) . ?
C11 C12 1.383(6) . ?
C11 C15 1.504(6) . ?
C12 O12 1.368(5) . ?
C12 C13 1.387(6) . ?
C13 C14 1.382(6) . ?
C16 O12 1.431(6) . ?
C17 O2 1.156(10) . ?
C17 C19 1.305(14) . ?
C17 C18 1.502(13) . ?
C20 C21 1.240(10) . ?
C20 O7 1.326(8) . ?
C20 C22 1.509(11) . ?
C23 C24 1.371(6) . ?
C23 C28 1.387(5) . ?
C24 C25 1.388(6) . ?
C25 C26 1.394(6) . ?
C25 C29 1.502(6) . ?
C26 C27 1.360(6) . ?
C26 O26 1.384(5) . ?
C27 C28 1.389(6) . ?
C30 O26 1.424(5) . ?
C31 C32 1.390(7) . ?
C31 C38A 1.435(5) . ?
C31 C39 1.478(6) . ?
C32 O32 1.371(7) . ?
C32 C33 1.384(8) . ?
C33 C34 1.350(8) . ?
C34 C34A 1.418(7) . ?
C34A C38A 1.392(9) . ?
C34A C34 1.418(7) 2_755 ?
C38A C31 1.435(5) 2_755 ?
C39 C40 1.387(6) . ?
C39 C44 1.389(6) . ?
C40 C41 1.390(6) . ?
C41 C42 1.379(6) . ?
C41 C45 1.516(6) . ?
C42 C43 1.361(6) . ?
C42 O42 1.388(5) . ?
C43 C44 1.386(6) . ?
C46 O42 1.420(6) . ?
C47 O32 1.387(7) . ?
C47 C48 1.407(11) . ?
C47 C49 1.533(11) . ?
