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#$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301861 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/13/7151300.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_7151300
loop_
_publ_author_name
'Booker, James E. M.'
'Boto, Alicia'
'Churchill, Gwydion H.'
'Green, Clive P.'
'Ling, Matthew'
'Meek, Graham'
'Prabhakaran, Jaya'
'Sinclair, David'
'Blake, Alexander J.'
'Pattenden, Gerald'
_publ_section_title
;
 Approaches to the quaternary stereocentre and to the heterocyclic core
 in diazonamide A using the Heck reaction and related coupling
 reactions
;
_journal_issue                   22
_journal_name_full               'Organic &  Biomolecular Chemistry'
_journal_page_first              4193
_journal_paper_doi               10.1039/b609604b
_journal_volume                  4
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C34 H40 I N O5'
_chemical_formula_sum            'C34 H40 I N O5'
_chemical_formula_weight         669.57
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens
'Me-(sp2) from delta-F; others placed geometrically'
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.039(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.7081(8)
_cell_length_b                   10.0539(7)
_cell_length_c                   13.8008(10)
_cell_measurement_reflns_used    4513
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.95
_cell_measurement_theta_min      2.45
_cell_volume                     1612.3(2)
_computing_cell_refinement       'Bruker SAINT version 6.02a (Bruker, 2000)'
_computing_data_collection       'Bruker SMART version 5.624 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-97; PLATON (Spek, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area detector'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_av_sigmaI/netI    0.028
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8763
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.74
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.033
_exptl_absorpt_correction_T_max  0.488
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SHELXTL version 5.10 (Bruker, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.79
_refine_diff_density_rms         0.05
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.043(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    'rigid rotating group; riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         8763
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0286
_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)+(0.040P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0675
_reflns_number_gt                6129
_reflns_number_total             6893
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b609604b.txt
_cod_data_source_block           JODBUT
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7151300
loop_
_symmetry_equiv_pos_as_xyz
'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
O1 O 0.10803(15) -0.00443(16) 0.70192(13) 0.0374(4) Uani 1 1 d . . .
C2 C 0.1827(2) 0.0118(2) 0.62869(18) 0.0338(5) Uani 1 1 d . . .
N3 N 0.20990(17) 0.15643(19) 0.63591(14) 0.0304(4) Uani 1 1 d . . .
C4 C 0.13868(19) 0.2233(2) 0.70237(17) 0.0287(5) Uani 1 1 d . . .
H4A H 0.1039 0.3066 0.6721 0.034 Uiso 1 1 calc R . .
C5 C 0.0469(2) 0.1178(2) 0.70910(19) 0.0358(6) Uani 1 1 d . . .
H5A H 0.0146 0.1237 0.7720 0.043 Uiso 1 1 calc R . .
H5B H -0.0164 0.1267 0.6549 0.043 Uiso 1 1 calc R . .
C6 C 0.2872(2) -0.0740(2) 0.6570(2) 0.0421(6) Uani 1 1 d . . .
H6A H 0.3248 -0.0466 0.7212 0.063 Uiso 1 1 calc R . .
H6B H 0.3411 -0.0639 0.6085 0.063 Uiso 1 1 calc R . .
H6C H 0.2636 -0.1673 0.6596 0.063 Uiso 1 1 calc R . .
C7 C 0.1194(3) -0.0248(3) 0.5293(2) 0.0502(7) Uani 1 1 d . . .
H7A H 0.0526 0.0335 0.5144 0.075 Uiso 1 1 calc R . .
H7B H 0.0937 -0.1175 0.5304 0.075 Uiso 1 1 calc R . .
H7C H 0.1713 -0.0141 0.4793 0.075 Uiso 1 1 calc R . .
O8 O 0.31777(18) 0.15881(19) 0.51061(14) 0.0460(5) Uani 1 1 d . . .
C8 C 0.2642(2) 0.2175(2) 0.56693(19) 0.0344(5) Uani 1 1 d . . .
O9 O 0.25060(14) 0.35085(17) 0.56967(11) 0.0349(4) Uani 1 1 d . . .
C10 C 0.2940(2) 0.4362(3) 0.49470(18) 0.0355(6) Uani 1 1 d . . .
C11 C 0.4239(2) 0.4286(3) 0.5035(2) 0.0436(6) Uani 1 1 d . . .
H11A H 0.4472 0.3394 0.4851 0.065 Uiso 1 1 calc R . .
H11B H 0.4562 0.4470 0.5711 0.065 Uiso 1 1 calc R . .
H11C H 0.4526 0.4946 0.4601 0.065 Uiso 1 1 calc R . .
C12 C 0.2553(3) 0.5732(3) 0.5228(2) 0.0434(6) Uani 1 1 d . . .
H12A H 0.2936 0.5965 0.5878 0.065 Uiso 1 1 calc R . .
H12B H 0.1717 0.5732 0.5238 0.065 Uiso 1 1 calc R . .
H12C H 0.2755 0.6387 0.4751 0.065 Uiso 1 1 calc R . .
C13 C 0.2356(3) 0.3992(3) 0.39455(19) 0.0463(7) Uani 1 1 d . . .
H13A H 0.2611 0.3105 0.3770 0.069 Uiso 1 1 calc R . .
H13B H 0.2559 0.4642 0.3466 0.069 Uiso 1 1 calc R . .
H13C H 0.1520 0.3987 0.3952 0.069 Uiso 1 1 calc R . .
C1' C 0.20466(19) 0.2522(2) 0.80289(17) 0.0283(5) Uani 1 1 d . . .
H1'A H 0.2290 0.1664 0.8359 0.034 Uiso 1 1 calc R . .
O1' O 0.30410(11) 0.32727(19) 0.78731(9) 0.0290(3) Uani 1 1 d . . .
C1B C 0.38797(17) 0.3343(3) 0.87041(14) 0.0339(5) Uani 1 1 d . . .
H1BA H 0.4292 0.2484 0.8797 0.041 Uiso 1 1 calc R . .
H1BB H 0.3502 0.3523 0.9294 0.041 Uiso 1 1 calc R . .
C2B C 0.4721(2) 0.4442(3) 0.85589(18) 0.0340(5) Uani 1 1 d . . .
C3B C 0.5729(2) 0.4615(3) 0.91894(19) 0.0423(7) Uani 1 1 d . . .
I I 0.614961(16) 0.33033(3) 1.036594(12) 0.06412(8) Uani 1 1 d . . .
C4B C 0.6486(3) 0.5635(4) 0.9055(3) 0.0617(10) Uani 1 1 d . . .
H4BA H 0.7165 0.5744 0.9500 0.074 Uiso 1 1 calc R . .
C5B C 0.6258(3) 0.6493(4) 0.8279(3) 0.0647(10) Uani 1 1 d . . .
H5BA H 0.6781 0.7192 0.8186 0.078 Uiso 1 1 calc R . .
C6B C 0.5272(3) 0.6337(3) 0.7636(3) 0.0546(8) Uani 1 1 d . . .
H6BA H 0.5115 0.6922 0.7096 0.065 Uiso 1 1 calc R . .
C7B C 0.4510(2) 0.5326(3) 0.7780(2) 0.0399(6) Uani 1 1 d . . .
H7BA H 0.3827 0.5231 0.7337 0.048 Uiso 1 1 calc R . .
C2' C 0.12985(17) 0.3302(3) 0.86618(14) 0.0296(4) Uani 1 1 d . . .
C3' C 0.1008(2) 0.2805(3) 0.94915(18) 0.0369(6) Uani 1 1 d . . .
H3' H 0.1320 0.1963 0.9691 0.044 Uiso 1 1 calc R . .
C4' C 0.0236(2) 0.3452(4) 1.01370(18) 0.0542(7) Uani 1 1 d . . .
H4'A H 0.0038 0.4349 0.9896 0.081 Uiso 1 1 calc R . .
H4'B H 0.0631 0.3505 1.0804 0.081 Uiso 1 1 calc R . .
H4'C H -0.0469 0.2924 1.0135 0.081 Uiso 1 1 calc R . .
C1A C 0.0860(2) 0.4604(2) 0.82593(15) 0.0269(5) Uani 1 1 d . . .
C2A C -0.0256(2) 0.4729(2) 0.77684(17) 0.0288(5) Uani 1 1 d . . .
C3A C -0.0638(2) 0.5926(2) 0.73523(18) 0.0344(5) Uani 1 1 d . . .
H3AA H -0.1388 0.5994 0.7005 0.041 Uiso 1 1 calc R . .
C4A C 0.0077(2) 0.7021(2) 0.74454(18) 0.0360(6) Uani 1 1 d . . .
H4AA H -0.0184 0.7844 0.7162 0.043 Uiso 1 1 calc R . .
C5A C 0.1170(2) 0.6931(2) 0.79470(18) 0.0348(5) Uani 1 1 d . . .
H5AA H 0.1656 0.7691 0.8016 0.042 Uiso 1 1 calc R . .
C6A C 0.1549(2) 0.5731(2) 0.83457(17) 0.0308(5) Uani 1 1 d . . .
H6AA H 0.2302 0.5673 0.8689 0.037 Uiso 1 1 calc R . .
O7A O -0.09042(13) 0.35822(16) 0.77342(13) 0.0391(4) Uani 1 1 d . . .
C8A C -0.2075(2) 0.3668(2) 0.73383(19) 0.0372(6) Uani 1 1 d . . .
H8AA H -0.2133 0.3750 0.6619 0.045 Uiso 1 1 calc R . .
H8AB H -0.2427 0.4468 0.7596 0.045 Uiso 1 1 calc R . .
C9A C -0.2705(2) 0.2450(2) 0.76026(18) 0.0323(5) Uani 1 1 d . . .
C10A C -0.3813(2) 0.2254(3) 0.7126(2) 0.0437(6) Uani 1 1 d . . .
H10A H -0.4119 0.2853 0.6628 0.052 Uiso 1 1 calc R . .
C11A C -0.4468(3) 0.1193(3) 0.7376(3) 0.0550(8) Uani 1 1 d . . .
H11D H -0.5226 0.1074 0.7054 0.066 Uiso 1 1 calc R . .
C12A C -0.4032(3) 0.0306(3) 0.8085(3) 0.0553(10) Uani 1 1 d . . .
H12D H -0.4483 -0.0426 0.8251 0.066 Uiso 1 1 calc R . .
C13A C -0.2933(3) 0.0491(3) 0.8554(2) 0.0496(7) Uani 1 1 d . . .
H13D H -0.2626 -0.0121 0.9043 0.060 Uiso 1 1 calc R . .
C14A C -0.2271(2) 0.1564(3) 0.83171(19) 0.0374(6) Uani 1 1 d . . .
H14A H -0.1519 0.1688 0.8649 0.045 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'
I I -0.4742 1.8119 '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 O1 C5 107.87(18) . . ?
O1 C2 N3 102.04(18) . . ?
O1 C2 C6 107.5(2) . . ?
N3 C2 C6 112.4(2) . . ?
O1 C2 C7 109.8(2) . . ?
N3 C2 C7 111.9(2) . . ?
C6 C2 C7 112.6(2) . . ?
C8 N3 C4 125.45(19) . . ?
C8 N3 C2 120.7(2) . . ?
C4 N3 C2 110.75(18) . . ?
N3 C4 C5 100.25(18) . . ?
N3 C4 C1' 112.89(19) . . ?
C5 C4 C1' 111.03(19) . . ?
O1 C5 C4 103.34(18) . . ?
O8 C8 O9 125.1(2) . . ?
O8 C8 N3 123.7(2) . . ?
O9 C8 N3 111.3(2) . . ?
C8 O9 C10 120.23(19) . . ?
O9 C10 C13 109.9(2) . . ?
O9 C10 C11 110.0(2) . . ?
C13 C10 C11 113.5(2) . . ?
O9 C10 C12 102.1(2) . . ?
C13 C10 C12 110.0(2) . . ?
C11 C10 C12 110.8(2) . . ?
O1' C1' C2' 110.50(19) . . ?
O1' C1' C4 107.13(17) . . ?
C2' C1' C4 110.77(18) . . ?
C1B O1' C1' 113.70(17) . . ?
O1' C1B C2B 109.1(2) . . ?
C3B C2B C7B 117.3(2) . . ?
C3B C2B C1B 121.8(2) . . ?
C7B C2B C1B 120.9(2) . . ?
C4B C3B C2B 121.2(3) . . ?
C4B C3B I 118.4(2) . . ?
C2B C3B I 120.3(2) . . ?
C5B C4B C3B 120.2(3) . . ?
C4B C5B C6B 119.8(3) . . ?
C5B C6B C7B 119.8(3) . . ?
C6B C7B C2B 121.6(3) . . ?
C3' C2' C1A 122.5(2) . . ?
C3' C2' C1' 121.6(2) . . ?
C1A C2' C1' 115.73(18) . . ?
C2' C3' C4' 125.9(3) . . ?
C6A C1A C2A 117.8(2) . . ?
C6A C1A C2' 121.1(2) . . ?
C2A C1A C2' 121.1(2) . . ?
O7A C2A C3A 124.4(2) . . ?
O7A C2A C1A 114.7(2) . . ?
C3A C2A C1A 120.8(2) . . ?
C4A C3A C2A 119.6(2) . . ?
C3A C4A C5A 120.6(2) . . ?
C6A C5A C4A 119.4(2) . . ?
C5A C6A C1A 121.7(2) . . ?
C2A O7A C8A 117.77(18) . . ?
O7A C8A C9A 109.8(2) . . ?
C14A C9A C10A 119.1(2) . . ?
C14A C9A C8A 123.6(2) . . ?
C10A C9A C8A 117.3(2) . . ?
C11A C10A C9A 120.3(3) . . ?
C12A C11A C10A 120.6(3) . . ?
C11A C12A C13A 119.3(3) . . ?
C12A C13A C14A 120.5(3) . . ?
C9A C14A C13A 120.2(3) . . ?
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
O1 C2 1.425(3) . ?
O1 C5 1.432(3) . ?
C2 N3 1.490(3) . ?
C2 C6 1.509(4) . ?
C2 C7 1.522(3) . ?
N3 C8 1.355(3) . ?
N3 C4 1.475(3) . ?
C4 C5 1.521(3) . ?
C4 C1' 1.531(3) . ?
O8 C8 1.210(3) . ?
C8 O9 1.351(3) . ?
O9 C10 1.481(3) . ?
C10 C13 1.512(4) . ?
C10 C11 1.513(4) . ?
C10 C12 1.516(4) . ?
C1' O1' 1.426(3) . ?
C1' C2' 1.528(3) . ?
O1' C1B 1.417(2) . ?
C1B C2B 1.509(4) . ?
C2B C3B 1.390(3) . ?
C2B C7B 1.394(4) . ?
C3B C4B 1.382(4) . ?
C3B I 2.103(3) . ?
C4B C5B 1.376(5) . ?
C5B C6B 1.376(5) . ?
C6B C7B 1.382(4) . ?
C2' C3' 1.331(3) . ?
C2' C1A 1.489(4) . ?
C3' C4' 1.494(4) . ?
C1A C6A 1.387(3) . ?
C1A C2A 1.402(3) . ?
C2A O7A 1.378(3) . ?
C2A C3A 1.384(3) . ?
C3A C4A 1.379(4) . ?
C4A C5A 1.381(4) . ?
C5A C6A 1.377(4) . ?
O7A C8A 1.414(3) . ?
C8A C9A 1.497(3) . ?
C9A C14A 1.378(4) . ?
C9A C10A 1.395(3) . ?
C10A C11A 1.382(4) . ?
C11A C12A 1.375(5) . ?
C12A C13A 1.381(5) . ?
C13A C14A 1.391(4) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 O1 C2 N3 30.5(2) . . . . ?
C5 O1 C2 C6 148.9(2) . . . . ?
C5 O1 C2 C7 -88.3(2) . . . . ?
O1 C2 N3 C8 -169.0(2) . . . . ?
C6 C2 N3 C8 76.2(3) . . . . ?
C7 C2 N3 C8 -51.7(3) . . . . ?
O1 C2 N3 C4 -7.9(3) . . . . ?
C6 C2 N3 C4 -122.7(2) . . . . ?
C7 C2 N3 C4 109.4(2) . . . . ?
C8 N3 C4 C5 144.4(2) . . . . ?
C2 N3 C4 C5 -15.6(2) . . . . ?
C8 N3 C4 C1' -97.4(3) . . . . ?
C2 N3 C4 C1' 102.6(2) . . . . ?
C2 O1 C5 C4 -41.5(2) . . . . ?
N3 C4 C5 O1 33.2(2) . . . . ?
C1' C4 C5 O1 -86.3(2) . . . . ?
C4 N3 C8 O8 -176.5(3) . . . . ?
C2 N3 C8 O8 -18.3(4) . . . . ?
C4 N3 C8 O9 3.5(3) . . . . ?
C2 N3 C8 O9 161.6(2) . . . . ?
O8 C8 O9 C10 5.5(4) . . . . ?
N3 C8 O9 C10 -174.4(2) . . . . ?
C8 O9 C10 C13 60.5(3) . . . . ?
C8 O9 C10 C11 -65.1(3) . . . . ?
C8 O9 C10 C12 177.2(2) . . . . ?
N3 C4 C1' O1' 55.3(2) . . . . ?
C5 C4 C1' O1' 166.98(18) . . . . ?
N3 C4 C1' C2' 175.89(19) . . . . ?
C5 C4 C1' C2' -72.4(2) . . . . ?
C2' C1' O1' C1B 73.7(2) . . . . ?
C4 C1' O1' C1B -165.5(2) . . . . ?
C1' O1' C1B C2B -164.56(18) . . . . ?
O1' C1B C2B C3B -170.5(2) . . . . ?
O1' C1B C2B C7B 9.5(3) . . . . ?
C7B C2B C3B C4B 0.8(4) . . . . ?
C1B C2B C3B C4B -179.2(2) . . . . ?
C7B C2B C3B I -178.35(18) . . . . ?
C1B C2B C3B I 1.6(3) . . . . ?
C2B C3B C4B C5B -0.9(4) . . . . ?
I C3B C4B C5B 178.2(3) . . . . ?
C3B C4B C5B C6B 0.2(5) . . . . ?
C4B C5B C6B C7B 0.6(5) . . . . ?
C5B C6B C7B C2B -0.7(5) . . . . ?
C3B C2B C7B C6B 0.0(4) . . . . ?
C1B C2B C7B C6B -180.0(2) . . . . ?
O1' C1' C2' C3' -123.8(2) . . . . ?
C4 C1' C2' C3' 117.6(2) . . . . ?
O1' C1' C2' C1A 59.9(2) . . . . ?
C4 C1' C2' C1A -58.7(3) . . . . ?
C1A C2' C3' C4' -0.7(4) . . . . ?
C1' C2' C3' C4' -176.7(2) . . . . ?
C3' C2' C1A C6A 103.0(3) . . . . ?
C1' C2' C1A C6A -80.8(3) . . . . ?
C3' C2' C1A C2A -78.0(3) . . . . ?
C1' C2' C1A C2A 98.3(3) . . . . ?
C6A C1A C2A O7A -178.19(19) . . . . ?
C2' C1A C2A O7A 2.7(3) . . . . ?
C6A C1A C2A C3A 2.4(3) . . . . ?
C2' C1A C2A C3A -176.6(2) . . . . ?
O7A C2A C3A C4A 178.9(2) . . . . ?
C1A C2A C3A C4A -1.8(4) . . . . ?
C2A C3A C4A C5A 0.2(4) . . . . ?
C3A C4A C5A C6A 0.8(4) . . . . ?
C4A C5A C6A C1A -0.1(4) . . . . ?
C2A C1A C6A C5A -1.5(3) . . . . ?
C2' C1A C6A C5A 177.6(2) . . . . ?
C3A C2A O7A C8A -7.0(3) . . . . ?
C1A C2A O7A C8A 173.7(2) . . . . ?
C2A O7A C8A C9A -164.9(2) . . . . ?
O7A C8A C9A C14A 14.8(3) . . . . ?
O7A C8A C9A C10A -168.5(2) . . . . ?
C14A C9A C10A C11A 0.6(4) . . . . ?
C8A C9A C10A C11A -176.3(2) . . . . ?
C9A C10A C11A C12A -0.9(4) . . . . ?
C10A C11A C12A C13A 0.5(5) . . . . ?
C11A C12A C13A C14A 0.3(5) . . . . ?
C10A C9A C14A C13A 0.2(4) . . . . ?
C8A C9A C14A C13A 176.8(2) . . . . ?
C12A C13A C14A C9A -0.6(4) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 10164526
2 PubChem 11992059
