#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/87/2008766.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2008766
loop_
_publ_author_name
'Tachi, Yoshimitsu'
'Nakayama, Shinya'
'Tani, Fumito'
'Ueno, Go'
'Naruta, Yoshinori'
_publ_section_title
;
 (S)-2,2'-Bis(methoxymethoxy)[1,1'-binaphthyl]-3,3'-dicarbaldehyde
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1351
_journal_page_last               1353
_journal_paper_doi               10.1107/S0108270199004680
_journal_volume                  55
_journal_year                    1999
_chemical_formula_analytical     'C26 H22 O6'
_chemical_formula_moiety         'C26 H22 O6'
_chemical_formula_structural     ' (C10 H5(O CH2 O CH3)2(C H O)2)2 '
_chemical_formula_sum            'C26 H22 O6'
_chemical_formula_weight         430.456
_chemical_melting_point          .39E-305
_chemical_name_common            binaphthalene
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.764(3)
_cell_length_b                   10.764(3)
_cell_length_c                   37.939(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      29.7
_cell_measurement_theta_min      25.6
_cell_volume                     4395.8(19)
_computing_cell_refinement       ' MSC/AFC Diffractometer Control Software'
_computing_data_collection
; MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1996)
;
_computing_data_reduction
' TEXSAN PROCESS (Molecular Structure Corporation, 1995)'
_computing_molecular_graphics    ' TEXSAN and ORTEPII (Johnson, 1976)'
_computing_publication_material  ' TEXSAN SAPI91 '
_computing_structure_refinement  ' TEXSAN LS and SAPI91'
_computing_structure_solution    ' TEXSAN SAPI91 (Fan Hai-fu, 1991)'
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.062
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2566
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         76.33
_diffrn_reflns_theta_min         2.33
_diffrn_standards_decay_%        8.59
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.762
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   '\Y-scans '
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1808.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       0.060(4)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.424
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    1
_refine_ls_number_parameters     300
_refine_ls_number_reflns         2526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[σ²(Fo²) + 0.00203(Fo²)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                1932
_reflns_number_total             2566
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf1308.cif
_cod_data_source_block           binapMOMCHO
_cod_original_cell_volume        4395(2)
_cod_original_sg_symbol_Hall     'P 43n 2nw'
_cod_database_code               2008766
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
1/2-y,1/2+x,1/4+z
1/2+y,1/2-x,3/4+z
y,x,-z
-y,-x,1/2-z
1/2-x,1/2+y,1/4-z
1/2+x,1/2-y,3/4-z
loop_
_atom_site_label
_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_type_symbol
O1 0.6965(2) 0.0299(2) 0.81495(6) 0.0628(7) Uani 1.00 O
O1' 0.3601(2) -0.1466(2) 0.78015(5) 0.0631(7) Uani 1.00 O
O2 0.5954(5) 0.1164(5) 0.76610(10) 0.094(2) Uani 0.70 O
O2* 0.6870(10) 0.1876(9) 0.7752(3) 0.085(4) Uani 0.30 O
O2' 0.5279(3) -0.1529(3) 0.74150(7) 0.0930(10) Uani 1.00 O
O3 0.9999(3) -0.1917(4) 0.80799(8) 0.0950(10) Uani 1.00 O
O3' 0.0883(3) 0.1136(4) 0.77509(8) 0.1070(10) Uani 1.00 O
C1 0.5613(3) -0.1394(3) 0.82882(7) 0.0509(8) Uani 1.00 C
C1' 0.4551(3) -0.0514(3) 0.83046(7) 0.0493(8) Uani 1.00 C
C2 0.6783(3) -0.0963(3) 0.82032(8) 0.0548(9) Uani 1.00 C
C2' 0.3633(3) -0.0530(3) 0.80506(7) 0.0529(8) Uani 1.00 C
C3 0.7835(3) -0.1768(3) 0.81840(8) 0.0614(10) Uani 1.00 C
C3' 0.2663(3) 0.0376(3) 0.80486(8) 0.0571(9) Uani 1.00 C
C4 0.7662(4) -0.3015(4) 0.82376(9) 0.0690(10) Uani 1.00 C
C4' 0.2630(3) 0.1267(3) 0.83081(9) 0.0591(9) Uani 1.00 C
C5 0.6485(4) -0.3513(3) 0.83213(8) 0.0640(10) Uani 1.00 C
C5' 0.3505(3) 0.1280(3) 0.85836(8) 0.0541(8) Uani 1.00 C
C6 0.6297(5) -0.4803(4) 0.83770(10) 0.0840(10) Uani 1.00 C
C6' 0.3435(4) 0.2163(3) 0.88634(9) 0.0660(10) Uani 1.00 C
C7 0.5177(5) -0.5264(4) 0.84690(10) 0.090(2) Uani 1.00 C
C7' 0.4244(4) 0.2110(4) 0.91380(10) 0.0750(10) Uani 1.00 C
C8 0.4162(4) -0.4455(4) 0.85070(10) 0.0790(10) Uani 1.00 C
C8' 0.5162(4) 0.1183(4) 0.91502(9) 0.0690(10) Uani 1.00 C
C9 0.4280(4) -0.3212(4) 0.84486(9) 0.0670(10) Uani 1.00 C
C9' 0.5278(3) 0.0333(3) 0.88798(8) 0.0604(9) Uani 1.00 C
C10 0.5451(3) -0.2697(3) 0.83532(7) 0.0546(8) Uani 1.00 C
C10' 0.4458(3) 0.0371(3) 0.85868(7) 0.0494(8) Uani 1.00 C
C11 0.7068(4) 0.0686(4) 0.77842(10) 0.0770(10) Uani 1.00 C
C11' 0.4057(4) -0.1209(4) 0.74539(9) 0.0760(10) Uani 1.00 C
C12 0.5590(7) 0.2261(6) 0.7793(2) 0.137(3) Uani 1.00 C
C12' 0.5514(6) -0.2808(6) 0.74010(10) 0.114(2) Uani 1.00 C
C13 0.9100(4) -0.1267(4) 0.81230(10) 0.0750(10) Uani 1.00 C
C13' 0.1681(4) 0.0344(5) 0.77770(10) 0.0790(10) Uani 1.00 C
H4 0.8370 -0.3575 0.8215 0.0700 Uiso 1.00 H
H4' 0.1906 0.1895 0.8293 0.1076 Uiso 1.00 H
H6 0.7082 -0.5256 0.8356 0.1014 Uiso 1.00 H
H6' 0.2741 0.2752 0.8869 0.0741 Uiso 1.00 H
H7 0.4992 -0.6280 0.8492 0.1330 Uiso 1.00 H
H7' 0.4266 0.2705 0.9345 0.1211 Uiso 1.00 H
H8 0.3335 -0.4800 0.8555 0.1031 Uiso 1.00 H
H8' 0.5786 0.1035 0.9364 0.0915 Uiso 1.00 H
H9 0.3558 -0.2709 0.8472 0.0654 Uiso 1.00 H
H9' 0.5835 -0.0270 0.8898 0.0728 Uiso 1.00 H
H11a' 0.4044 -0.0236 0.7419 0.1038 Uiso 1.00 H
H11a 0.7792 0.1283 0.7779 0.1038 Uiso 0.70 H
H11b 0.7236 0.0022 0.7645 0.1038 Uiso 0.70 H
H11b' 0.3615 -0.1739 0.7277 0.1038 Uiso 1.00 H
H12a' 0.6367 -0.3016 0.7449 0.1038 Uiso 1.00 H
H12a 0.5175 0.2140 0.7999 0.1038 Uiso 0.70 H
H12b 0.5210 0.2878 0.7623 0.1038 Uiso 0.70 H
H12b' 0.5235 -0.3293 0.7623 0.1038 Uiso 1.00 H
H12c' 0.4885 -0.3022 0.7226 0.1038 Uiso 1.00 H
H12c 0.6316 0.2838 0.7825 0.1038 Uiso 0.70 H
H13 0.9203 -0.0311 0.8067 0.1218 Uiso 1.00 H
H13' 0.1835 -0.0304 0.7584 0.2042 Uiso 1.00 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.018 0.009
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.049 0.032
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
0 1 10
1 2 6
-1 1 7
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 O1 C11 1_555 1_555 1_555 115.6(3) no
C2' O1' C11' 1_555 1_555 1_555 118.7(3) no
C11 O2 C12 1_555 1_555 1_555 117.1(6) yes
C11 O2* C12 1_555 1_555 1_555 115.0(8) yes
C11' O2' C12' 1_555 1_555 1_555 115.2(4) yes
C1' C1 C2 1_555 1_555 1_555 119.8(3) no
C1' C1 C10 1_555 1_555 1_555 121.5(3) no
C2 C1 C10 1_555 1_555 1_555 118.7(3) no
C1 C1' C2' 1_555 1_555 1_555 120.9(3) no
C1 C1' C10' 1_555 1_555 1_555 120.5(3) no
C2' C1' C10' 1_555 1_555 1_555 118.6(3) no
O1 C2 C1 1_555 1_555 1_555 119.5(3) no
O1 C2 C3 1_555 1_555 1_555 118.3(3) no
C1 C2 C3 1_555 1_555 1_555 122.1(3) no
O1' C2' C1' 1_555 1_555 1_555 120.3(3) no
O1' C2' C3' 1_555 1_555 1_555 118.4(3) no
C1' C2' C3' 1_555 1_555 1_555 121.2(3) no
C2 C3 C4 1_555 1_555 1_555 118.7(4) no
C2 C3 C13 1_555 1_555 1_555 121.1(3) no
C4 C3 C13 1_555 1_555 1_555 120.2(3) no
C2' C3' C4' 1_555 1_555 1_555 119.4(3) no
C2' C3' C13' 1_555 1_555 1_555 120.8(3) no
C4' C3' C13' 1_555 1_555 1_555 119.8(3) no
C3 C4 C5 1_555 1_555 1_555 121.8(3) no
C3 C4 H4 1_555 1_555 1_555 119.1(4) no
C5 C4 H4 1_555 1_555 1_555 119.1(4) no
C3' C4' C5' 1_555 1_555 1_555 121.4(3) no
C3' C4' H4' 1_555 1_555 1_555 116.0(3) no
C5' C4' H4' 1_555 1_555 1_555 122.6(3) no
C4 C5 C6 1_555 1_555 1_555 122.2(4) no
C4 C5 C10 1_555 1_555 1_555 119.1(3) no
C6 C5 C10 1_555 1_555 1_555 118.7(4) no
C4' C5' C6' 1_555 1_555 1_555 121.6(3) no
C4' C5' C10' 1_555 1_555 1_555 119.0(3) no
C6' C5' C10' 1_555 1_555 1_555 119.5(3) no
C5 C6 C7 1_555 1_555 1_555 121.7(4) no
C5 C6 H6 1_555 1_555 1_555 110.6(5) no
C7 C6 H6 1_555 1_555 1_555 127.5(4) no
C5' C6' C7' 1_555 1_555 1_555 120.6(4) no
C5' C6' H6' 1_555 1_555 1_555 119.2(4) no
C7' C6' H6' 1_555 1_555 1_555 119.9(3) no
C6 C7 C8 1_555 1_555 1_555 119.6(4) no
C6 C7 H7 1_555 1_555 1_555 122.7(5) no
C8 C7 H7 1_555 1_555 1_555 117.5(5) no
C6' C7' C8' 1_555 1_555 1_555 120.3(3) no
C6' C7' H7' 1_555 1_555 1_555 125.6(5) no
C8' C7' H7' 1_555 1_555 1_555 114.1(4) no
C7 C8 C9 1_555 1_555 1_555 121.3(4) no
C7 C8 H8 1_555 1_555 1_555 119.3(4) no
C9 C8 H8 1_555 1_555 1_555 119.1(5) no
C7' C8' C9' 1_555 1_555 1_555 120.7(3) no
C7' C8' H8' 1_555 1_555 1_555 125.0(4) no
C9' C8' H8' 1_555 1_555 1_555 114.2(4) no
C8 C9 C10 1_555 1_555 1_555 120.4(4) no
C8 C9 H9 1_555 1_555 1_555 117.9(4) no
C10 C9 H9 1_555 1_555 1_555 121.7(4) no
C8' C9' C10' 1_555 1_555 1_555 120.4(3) no
C8' C9' H9' 1_555 1_555 1_555 119.2(3) no
C10' C9' H9' 1_555 1_555 1_555 120.3(3) no
C1 C10 C5 1_555 1_555 1_555 119.6(3) no
C1 C10 C9 1_555 1_555 1_555 122.2(3) no
C5 C10 C9 1_555 1_555 1_555 118.3(3) no
C1' C10' C5' 1_555 1_555 1_555 120.1(3) no
C1' C10' C9' 1_555 1_555 1_555 121.4(3) no
C5' C10' C9' 1_555 1_555 1_555 118.4(3) no
O1 C11 O2 1_555 1_555 1_555 111.2(4) yes
O1 C11 O2* 1_555 1_555 1_555 111.0(6) yes
O1 C11 H11a 1_555 1_555 1_555 105.0(4) no
O1 C11 H11b 1_555 1_555 1_555 110.1(4) no
O2 C11 H11a 1_555 1_555 1_555 115.1(4) no
O2 C11 H11b 1_555 1_555 1_555 105.7(4) no
H11a C11 H11b 1_555 1_555 1_555 109.7(4) no
O1' C11' O2' 1_555 1_555 1_555 112.3(3) yes
O1' C11' H11a' 1_555 1_555 1_555 107.6(3) no
O1' C11' H11b' 1_555 1_555 1_555 110.1(4) no
O2' C11' H11a' 1_555 1_555 1_555 104.4(4) no
O2' C11' H11b' 1_555 1_555 1_555 103.9(3) no
H11a' C11' H11b' 1_555 1_555 1_555 118.4(4) no
O2 C12 H12a 1_555 1_555 1_555 109.7(6) no
O2 C12 H12b 1_555 1_555 1_555 117.5(7) no
O2 C12 H12c 1_555 1_555 1_555 111.3(6) no
H12a C12 H12b 1_555 1_555 1_555 116.1(6) no
H12a C12 H12c 1_555 1_555 1_555 111.4(8) no
H12b C12 H12c 1_555 1_555 1_555 89.2(5) no
O2' C12' H12a' 1_555 1_555 1_555 113.2(6) no
O2' C12' H12b' 1_555 1_555 1_555 114.2(4) no
O2' C12' H12c' 1_555 1_555 1_555 97.6(4) no
H12a' C12' H12b' 1_555 1_555 1_555 90.2(4) no
H12a' C12' H12c' 1_555 1_555 1_555 137.5(5) no
H12b' C12' H12c' 1_555 1_555 1_555 103.5(6) no
O3 C13 C3 1_555 1_555 1_555 123.2(4) no
O3 C13 H13 1_555 1_555 1_555 117.0(4) no
C3 C13 H13 1_555 1_555 1_555 118.8(3) no
O3' C13' C3' 1_555 1_555 1_555 123.2(4) no
O3' C13' H13' 1_555 1_555 1_555 122.2(4) no
C3' C13' H13' 1_555 1_555 1_555 113.5(3) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C2 1_555 1_555 1.388(4) no
O1 C11 1_555 1_555 1.451(4) yes
O1' C2' 1_555 1_555 1.382(4) no
O1' C11' 1_555 1_555 1.434(4) yes
O2 C11 1_555 1_555 1.385(6) yes
O2 C12 1_555 1_555 1.340(7) yes
O2* C11 1_555 1_555 1.300(10) yes
O2* C12 1_555 1_555 1.450(10) yes
O2' C11' 1_555 1_555 1.367(5) yes
O2' C12' 1_555 1_555 1.401(6) yes
O3 C13 1_555 1_555 1.205(4) no
O3' C13' 1_555 1_555 1.215(5) no
C1 C1' 1_555 1_555 1.486(4) no
C1 C2 1_555 1_555 1.380(4) no
C1 C10 1_555 1_555 1.435(4) no
C1' C2' 1_555 1_555 1.380(4) no
C1' C10' 1_555 1_555 1.437(4) no
C2 C3 1_555 1_555 1.427(5) no
C2' C3' 1_555 1_555 1.430(4) no
C3 C4 1_555 1_555 1.370(5) no
C3 C13 1_555 1_555 1.483(5) no
C3' C4' 1_555 1_555 1.375(5) no
C3' C13' 1_555 1_555 1.476(5) no
C4 C5 1_555 1_555 1.412(6) no
C4 H4 1_555 1_555 0.975 no
C4' C5' 1_555 1_555 1.408(4) no
C4' H4' 1_555 1_555 1.033 no
C5 C6 1_555 1_555 1.418(6) no
C5 C10 1_555 1_555 1.423(5) no
C5' C6' 1_555 1_555 1.427(4) no
C5' C10' 1_555 1_555 1.417(4) no
C6 C7 1_555 1_555 1.349(7) no
C6 H6 1_555 1_555 0.979 no
C6' C7' 1_555 1_555 1.360(6) no
C6' H6' 1_555 1_555 0.979 no
C7 C8 1_555 1_555 1.405(7) no
C7 H7 1_555 1_555 1.115 no
C7' C8' 1_555 1_555 1.405(6) no
C7' H7' 1_555 1_555 1.012 no
C8 C9 1_555 1_555 1.362(6) no
C8 H8 1_555 1_555 0.982 no
C8' C9' 1_555 1_555 1.380(5) no
C8' H8' 1_555 1_555 1.065 no
C9 C10 1_555 1_555 1.423(5) no
C9 H9 1_555 1_555 0.952 no
C9' C10' 1_555 1_555 1.421(4) no
C9' H9' 1_555 1_555 0.887 no
C11 H11a 1_555 1_555 1.011 no
C11 H11b 1_555 1_555 0.906 no
C11' H11a' 1_555 1_555 1.055 no
C11' H11b' 1_555 1_555 1.002 no
C12 H12a 1_555 1_555 0.910 no
C12 H12b 1_555 1_555 1.011 no
C12 H12c 1_555 1_555 1.005 no
C12' H12a' 1_555 1_555 0.962 no
C12' H12b' 1_555 1_555 1.037 no
C12' H12c' 1_555 1_555 0.976 no
C13 H13 1_555 1_555 1.056 no
C13' H13' 1_555 1_555 1.026 no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C2 C1 C1' 1_555 1_555 1_555 1_555 2.9(4) no
O1 C2 C1 C10 1_555 1_555 1_555 1_555 -178.1(2) no
O1 C2 C3 C4 1_555 1_555 1_555 1_555 179.8(3) no
O1 C2 C3 C13 1_555 1_555 1_555 1_555 2.5(5) no
O1 C11 O2 C12 1_555 1_555 1_555 1_555 69.6(6) no
O1 C11 O2* C12 1_555 1_555 1_555 1_555 -73.4(9) no
O1' C2' C1' C1 1_555 1_555 1_555 1_555 8.3(5) no
O1' C2' C1' C10' 1_555 1_555 1_555 1_555 -171.6(3) no
O1' C2' C3' C4' 1_555 1_555 1_555 1_555 175.7(3) no
O1' C2' C3' C13' 1_555 1_555 1_555 1_555 -2.7(5) no
O1' C11' O2' C12' 1_555 1_555 1_555 1_555 72.4(5) no
O2 C11 O1 C2 1_555 1_555 1_555 1_555 99.2(4) no
O2* C11 O1 C2 1_555 1_555 1_555 1_555 161.5(6) no
O2' C11' O1' C2' 1_555 1_555 1_555 1_555 93.6(4) no
O3 C13 C3 C2 1_555 1_555 1_555 1_555 -174.5(4) no
O3 C13 C3 C4 1_555 1_555 1_555 1_555 8.2(6) no
O3' C13' C3' C2' 1_555 1_555 1_555 1_555 -175.2(4) no
O3' C13' C3' C4' 1_555 1_555 1_555 1_555 6.4(7) no
C1 C1' C2' C3' 1_555 1_555 1_555 1_555 -175.0(3) no
C1 C1' C10' C5' 1_555 1_555 1_555 1_555 174.3(3) no
C1 C1' C10' C9' 1_555 1_555 1_555 1_555 -8.1(5) no
C1 C2 O1 C11 1_555 1_555 1_555 1_555 -103.0(4) no
C1 C2 C3 C4 1_555 1_555 1_555 1_555 2.8(5) no
C1 C2 C3 C13 1_555 1_555 1_555 1_555 -174.6(3) no
C1 C10 C5 C4 1_555 1_555 1_555 1_555 2.1(5) no
C1 C10 C5 C6 1_555 1_555 1_555 1_555 -178.2(3) no
C1 C10 C9 C8 1_555 1_555 1_555 1_555 179.7(3) no
C1' C1 C2 C3 1_555 1_555 1_555 1_555 179.9(3) no
C1' C1 C10 C5 1_555 1_555 1_555 1_555 177.6(3) no
C1' C1 C10 C9 1_555 1_555 1_555 1_555 -2.2(4) no
C1' C2' O1' C11' 1_555 1_555 1_555 1_555 -101.6(4) no
C1' C2' C3' C4' 1_555 1_555 1_555 1_555 -1.1(5) no
C1' C2' C3' C13' 1_555 1_555 1_555 1_555 -179.5(3) no
C1' C10' C5' C4' 1_555 1_555 1_555 1_555 2.5(5) no
C1' C10' C5' C6' 1_555 1_555 1_555 1_555 -179.2(3) no
C1' C10' C9' C8' 1_555 1_555 1_555 1_555 -179.1(3) no
C2 C1 C1' C2' 1_555 1_555 1_555 1_555 108.7(4) no
C2 C1 C1' C10' 1_555 1_555 1_555 1_555 -71.4(4) no
C2 C1 C10 C5 1_555 1_555 1_555 1_555 -1.3(4) no
C2 C1 C10 C9 1_555 1_555 1_555 1_555 178.8(3) no
C2 C3 C4 C5 1_555 1_555 1_555 1_555 -2.0(5) no
C2' C1' C1 C10 1_555 1_555 1_555 1_555 -70.3(4) no
C2' C1' C10' C5' 1_555 1_555 1_555 1_555 -5.8(4) no
C2' C1' C10' C9' 1_555 1_555 1_555 1_555 171.8(3) no
C2' C3' C4' C5' 1_555 1_555 1_555 1_555 -2.4(5) no
C3 C2 O1 C11 1_555 1_555 1_555 1_555 79.9(4) no
C3 C2 C1 C10 1_555 1_555 1_555 1_555 -1.1(5) no
C3 C4 C5 C6 1_555 1_555 1_555 1_555 179.9(3) no
C3 C4 C5 C10 1_555 1_555 1_555 1_555 -0.4(5) no
C3' C2' O1' C11' 1_555 1_555 1_555 1_555 81.5(4) no
C3' C2' C1' C10' 1_555 1_555 1_555 1_555 5.1(5) no
C3' C4' C5' C6' 1_555 1_555 1_555 1_555 -176.6(3) no
C3' C4' C5' C10' 1_555 1_555 1_555 1_555 1.7(5) no
C4 C5 C6 C7 1_555 1_555 1_555 1_555 177.7(4) no
C4 C5 C10 C9 1_555 1_555 1_555 1_555 -178.1(3) no
C4' C5' C6' C7' 1_555 1_555 1_555 1_555 175.8(3) no
C4' C5' C10' C9' 1_555 1_555 1_555 1_555 -175.2(3) no
C5 C4 C3 C13 1_555 1_555 1_555 1_555 175.4(3) no
C5 C6 C7 C8 1_555 1_555 1_555 1_555 0.8(7) no
C5 C10 C9 C8 1_555 1_555 1_555 1_555 -0.1(5) no
C5' C4' C3' C13' 1_555 1_555 1_555 1_555 176.0(3) no
C5' C6' C7' C8' 1_555 1_555 1_555 1_555 0.1(6) no
C5' C10' C9' C8' 1_555 1_555 1_555 1_555 -1.4(5) no
C6 C5 C10 C9 1_555 1_555 1_555 1_555 1.6(5) no
C6 C7 C8 C9 1_555 1_555 1_555 1_555 0.9(7) no
C6' C5' C10' C9' 1_555 1_555 1_555 1_555 3.1(5) no
C6' C7' C8' C9' 1_555 1_555 1_555 1_555 1.7(6) no
C7 C6 C5 C10 1_555 1_555 1_555 1_555 -2.0(6) no
C7 C8 C9 C10 1_555 1_555 1_555 1_555 -1.2(6) no
C7' C6' C5' C10' 1_555 1_555 1_555 1_555 -2.5(5) no
C7' C8' C9' C10' 1_555 1_555 1_555 1_555 -1.0(6) no
C10 C1 C1' C10' 1_555 1_555 1_555 1_555 109.6(3) no
