#------------------------------------------------------------------------------
#$Date: 2019-11-24 02:50:40 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236340 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/75/4037560.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_4037560
loop_
_publ_author_name
'Li, Qin'
'Chen, Chunmei'
'Cheng, Li'
'Wei, Mengsha'
'Dai, Chong'
'He, Yan'
'Gong, Jiaojiao'
'Zhu, Runqi'
'Li, Xiao-Nian'
'Liu, Junjun'
'Wang, Jianping'
'Zhu, Hucheng'
'Zhang, Yonghui'
_publ_section_title
;
 Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based
 Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus
 Emericella sp. TJ29.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1534
_journal_page_last               1541
_journal_paper_doi               10.1021/acs.joc.8b02830
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C26 H32 O6'
_chemical_formula_weight         440.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 105.518(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.9473(8)
_cell_length_b                   13.6391(12)
_cell_length_c                   9.5262(8)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      69.57
_cell_measurement_theta_min      4.82
_cell_volume                     1120.13(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.931
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11816
_diffrn_reflns_point_group_measured_fraction_full 0.931
_diffrn_reflns_point_group_measured_fraction_max 0.901
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.517
_diffrn_reflns_theta_min         4.818
_exptl_absorpt_coefficient_mu    0.747
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_description       block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.167
_refine_diff_density_min         -0.169
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details
; 
 Flack x determined using 1730 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.09(5)
_refine_ls_extinction_coef       0.056(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         3805
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0559P)²+0.0872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0876
_reflns_Friedel_coverage         0.852
_reflns_Friedel_fraction_full    0.905
_reflns_Friedel_fraction_max     0.868
_reflns_number_gt                3798
_reflns_number_total             3805
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jo8b02830_si_002.cif
_cod_data_source_block           cu_171120h_0m
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4037560
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.916
_shelx_estimated_absorpt_t_max   0.929
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.9683(2) 0.66901(16) 0.2590(2) 0.0440(5) Uani 1 1 d . .
H1 H 0.9292 0.6018 0.2580 0.053 Uiso 1 1 calc R U
C2 C 1.0979(3) 0.6861(2) 0.3991(3) 0.0563(6) Uani 1 1 d . .
H2A H 1.0583 0.6743 0.4829 0.068 Uiso 1 1 calc R U
H2B H 1.1819 0.6404 0.4031 0.068 Uiso 1 1 calc R U
C3 C 1.1582(3) 0.7895(2) 0.4046(2) 0.0547(6) Uani 1 1 d . .
C4 C 1.0403(2) 0.87351(17) 0.3810(2) 0.0448(5) Uani 1 1 d . .
C5 C 0.9005(2) 0.84699(15) 0.2489(2) 0.0377(4) Uani 1 1 d . .
H5 H 0.9424 0.8506 0.1640 0.045 Uiso 1 1 calc R U
C6 C 0.7694(2) 0.92076(16) 0.2179(2) 0.0460(5) Uani 1 1 d . .
H6A H 0.8110 0.9866 0.2369 0.055 Uiso 1 1 calc R U
H6B H 0.7025 0.9085 0.2811 0.055 Uiso 1 1 calc R U
C7 C 0.6764(3) 0.91174(16) 0.0588(2) 0.0455(5) Uani 1 1 d . .
H7A H 0.7417 0.9318 -0.0026 0.055 Uiso 1 1 calc R U
H7B H 0.5894 0.9567 0.0411 0.055 Uiso 1 1 calc R U
C8 C 0.6137(2) 0.80709(14) 0.0131(2) 0.0372(4) Uani 1 1 d . .
C9 C 0.7147(2) 0.72299(16) 0.0979(2) 0.0419(5) Uani 1 1 d . .
C10 C 0.8351(2) 0.74148(15) 0.2453(2) 0.0392(4) Uani 1 1 d . .
C11 C 0.5937(2) 0.79222(15) -0.1570(2) 0.0397(4) Uani 1 1 d . .
C12 C 0.5117(3) 0.69638(16) -0.2168(2) 0.0448(5) Uani 1 1 d . .
C13 C 0.3610(3) 0.68179(17) -0.2285(2) 0.0487(5) Uani 1 1 d . .
H13 H 0.3203 0.6232 -0.2725 0.058 Uiso 1 1 calc R U
C14 C 0.2522(2) 0.74449(18) -0.1822(2) 0.0474(5) Uani 1 1 d . .
C15 C 0.3142(2) 0.83619(17) -0.0912(2) 0.0443(5) Uani 1 1 d . .
C16 C 0.4512(2) 0.79871(17) 0.0395(2) 0.0432(5) Uani 1 1 d . .
H16A H 0.4505 0.8360 0.1260 0.052 Uiso 1 1 calc R U
H16B H 0.4323 0.7306 0.0585 0.052 Uiso 1 1 calc R U
C17 C 0.3713(2) 0.90338(16) -0.1905(2) 0.0432(4) Uani 1 1 d . .
H17 H 0.3182 0.9608 -0.2256 0.052 Uiso 1 1 calc R U
C18 C 0.4985(2) 0.87901(16) -0.2266(2) 0.0417(5) Uani 1 1 d . .
C19 C 0.5827(3) 0.9360(2) -0.3109(3) 0.0551(6) Uani 1 1 d . .
C20 C 0.7467(3) 0.8093(2) -0.2000(3) 0.0573(6) Uani 1 1 d . .
H20A H 0.8317 0.8196 -0.1136 0.069 Uiso 1 1 calc R U
H20B H 0.7705 0.7528 -0.2518 0.069 Uiso 1 1 calc R U
C21 C 1.1100(4) 0.6051(2) 0.1005(4) 0.0718(8) Uani 1 1 d . .
H21A H 1.2172 0.6116 0.1533 0.108 Uiso 1 1 calc R U
H21B H 1.1010 0.6051 -0.0022 0.108 Uiso 1 1 calc R U
H21C H 1.0698 0.5447 0.1271 0.108 Uiso 1 1 calc R U
C22 C 0.7467(3) 0.7179(2) 0.3605(3) 0.0554(6) Uani 1 1 d . .
H22A H 0.7020 0.6536 0.3428 0.083 Uiso 1 1 calc R U
H22B H 0.6658 0.7654 0.3539 0.083 Uiso 1 1 calc R U
H22C H 0.8174 0.7202 0.4560 0.083 Uiso 1 1 calc R U
C23 C 1.1163(3) 0.9674(2) 0.3470(3) 0.0599(6) Uani 1 1 d . .
H23A H 1.2079 0.9806 0.4241 0.090 Uiso 1 1 calc R U
H23B H 1.0449 1.0210 0.3386 0.090 Uiso 1 1 calc R U
H23C H 1.1439 0.9597 0.2569 0.090 Uiso 1 1 calc R U
C24 C 0.9933(3) 0.8904(2) 0.5235(3) 0.0612(6) Uani 1 1 d . .
H24A H 0.9652 0.8290 0.5585 0.092 Uiso 1 1 calc R U
H24B H 0.9065 0.9344 0.5054 0.092 Uiso 1 1 calc R U
H24C H 1.0790 0.9184 0.5954 0.092 Uiso 1 1 calc R U
C25 C 0.5979(4) 0.6196(2) -0.2759(4) 0.0736(8) Uani 1 1 d . .
H25A H 0.5387 0.5600 -0.2916 0.110 Uiso 1 1 calc R U
H25B H 0.6965 0.6079 -0.2075 0.110 Uiso 1 1 calc R U
H25C H 0.6136 0.6417 -0.3666 0.110 Uiso 1 1 calc R U
C26 C 0.1883(3) 0.8838(2) -0.0345(3) 0.0650(7) Uani 1 1 d . .
H26A H 0.2282 0.9425 0.0179 0.098 Uiso 1 1 calc R U
H26B H 0.1558 0.8391 0.0294 0.098 Uiso 1 1 calc R U
H26C H 0.1014 0.9000 -0.1150 0.098 Uiso 1 1 calc R U
O1 O 1.02525(19) 0.68420(12) 0.13487(18) 0.0503(4) Uani 1 1 d . .
O2 O 1.2954(2) 0.8052(2) 0.4290(3) 0.0914(8) Uani 1 1 d . .
O3 O 0.6900(2) 0.64017(13) 0.0543(2) 0.0662(5) Uani 1 1 d . .
O4 O 0.11491(19) 0.72343(17) -0.2123(2) 0.0677(5) Uani 1 1 d . .
O6 O 0.5440(3) 1.00800(18) -0.3839(2) 0.0833(7) Uani 1 1 d . .
O7 O 0.7249(2) 0.89512(16) -0.2924(2) 0.0691(5) 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 0.0000 0.0000 '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
O1 C1 C10 106.27(16)
O1 C1 C2 110.23(19)
C10 C1 C2 111.51(18)
O1 C1 H1 109.6
C10 C1 H1 109.6
C2 C1 H1 109.6
C3 C2 C1 110.71(19)
C3 C2 H2A 109.5
C1 C2 H2A 109.5
C3 C2 H2B 109.5
C1 C2 H2B 109.5
H2A C2 H2B 108.1
O2 C3 C2 120.7(3)
O2 C3 C4 121.4(3)
C2 C3 C4 117.9(2)
C23 C4 C3 109.3(2)
C23 C4 C24 107.7(2)
C3 C4 C24 108.7(2)
C23 C4 C5 109.29(18)
C3 C4 C5 108.48(17)
C24 C4 C5 113.31(18)
C6 C5 C10 110.13(16)
C6 C5 C4 114.55(17)
C10 C5 C4 116.71(17)
C6 C5 H5 104.7
C10 C5 H5 104.7
C4 C5 H5 104.7
C5 C6 C7 109.16(17)
C5 C6 H6A 109.8
C7 C6 H6A 109.8
C5 C6 H6B 109.8
C7 C6 H6B 109.8
H6A C6 H6B 108.3
C6 C7 C8 114.37(18)
C6 C7 H7A 108.7
C8 C7 H7A 108.7
C6 C7 H7B 108.7
C8 C7 H7B 108.7
H7A C7 H7B 107.6
C16 C8 C9 107.68(16)
C16 C8 C7 107.90(17)
C9 C8 C7 114.73(16)
C16 C8 C11 107.52(15)
C9 C8 C11 109.11(16)
C7 C8 C11 109.64(16)
O3 C9 C10 119.07(19)
O3 C9 C8 119.21(18)
C10 C9 C8 121.42(17)
C1 C10 C9 108.06(16)
C1 C10 C22 109.91(17)
C9 C10 C22 104.28(17)
C1 C10 C5 108.49(16)
C9 C10 C5 109.80(16)
C22 C10 C5 116.00(17)
C18 C11 C12 110.43(16)
C18 C11 C20 101.60(18)
C12 C11 C20 113.51(18)
C18 C11 C8 104.16(15)
C12 C11 C8 113.53(15)
C20 C11 C8 112.50(17)
C13 C12 C25 118.3(2)
C13 C12 C11 121.9(2)
C25 C12 C11 119.6(2)
C12 C13 C14 129.1(2)
C12 C13 H13 115.4
C14 C13 H13 115.4
O4 C14 C13 120.4(2)
O4 C14 C15 120.9(2)
C13 C14 C15 118.72(17)
C17 C15 C26 111.9(2)
C17 C15 C14 105.90(17)
C26 C15 C14 110.99(19)
C17 C15 C16 111.76(16)
C26 C15 C16 110.53(19)
C14 C15 C16 105.52(17)
C8 C16 C15 114.41(16)
C8 C16 H16A 108.7
C15 C16 H16A 108.7
C8 C16 H16B 108.7
C15 C16 H16B 108.7
H16A C16 H16B 107.6
C18 C17 C15 118.30(19)
C18 C17 H17 120.8
C15 C17 H17 120.8
C17 C18 C19 128.1(2)
C17 C18 C11 120.67(18)
C19 C18 C11 110.25(19)
O6 C19 O7 121.8(2)
O6 C19 C18 129.9(3)
O7 C19 C18 108.3(2)
O7 C20 C11 107.4(2)
O7 C20 H20A 110.2
C11 C20 H20A 110.2
O7 C20 H20B 110.2
C11 C20 H20B 110.2
H20A C20 H20B 108.5
O1 C21 H21A 109.5
O1 C21 H21B 109.5
H21A C21 H21B 109.5
O1 C21 H21C 109.5
H21A C21 H21C 109.5
H21B C21 H21C 109.5
C10 C22 H22A 109.5
C10 C22 H22B 109.5
H22A C22 H22B 109.5
C10 C22 H22C 109.5
H22A C22 H22C 109.5
H22B C22 H22C 109.5
C4 C23 H23A 109.5
C4 C23 H23B 109.5
H23A C23 H23B 109.5
C4 C23 H23C 109.5
H23A C23 H23C 109.5
H23B C23 H23C 109.5
C4 C24 H24A 109.5
C4 C24 H24B 109.5
H24A C24 H24B 109.5
C4 C24 H24C 109.5
H24A C24 H24C 109.5
H24B C24 H24C 109.5
C12 C25 H25A 109.5
C12 C25 H25B 109.5
H25A C25 H25B 109.5
C12 C25 H25C 109.5
H25A C25 H25C 109.5
H25B C25 H25C 109.5
C15 C26 H26A 109.5
C15 C26 H26B 109.5
H26A C26 H26B 109.5
C15 C26 H26C 109.5
H26A C26 H26C 109.5
H26B C26 H26C 109.5
C21 O1 C1 114.64(18)
C19 O7 C20 112.37(17)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 O1 1.422(3)
C1 C10 1.527(3)
C1 C2 1.534(3)
C1 H1 0.9800
C2 C3 1.505(4)
C2 H2A 0.9700
C2 H2B 0.9700
C3 O2 1.206(3)
C3 C4 1.533(3)
C4 C23 1.525(3)
C4 C24 1.542(3)
C4 C5 1.561(3)
C5 C6 1.514(3)
C5 C10 1.551(3)
C5 H5 0.9800
C6 C7 1.527(3)
C6 H6A 0.9700
C6 H6B 0.9700
C7 C8 1.553(3)
C7 H7A 0.9700
C7 H7B 0.9700
C8 C16 1.545(3)
C8 C9 1.547(3)
C8 C11 1.594(3)
C9 O3 1.203(3)
C9 C10 1.545(3)
C10 C22 1.547(3)
C11 C18 1.505(3)
C11 C12 1.532(3)
C11 C20 1.548(3)
C12 C13 1.338(3)
C12 C25 1.496(4)
C13 C14 1.451(4)
C13 H13 0.9300
C14 O4 1.219(3)
C14 C15 1.538(3)
C15 C17 1.501(3)
C15 C26 1.519(3)
C15 C16 1.581(3)
C16 H16A 0.9700
C16 H16B 0.9700
C17 C18 1.317(3)
C17 H17 0.9300
C18 C19 1.463(3)
C19 O6 1.200(3)
C19 O7 1.357(3)
C20 O7 1.446(3)
C20 H20A 0.9700
C20 H20B 0.9700
C21 O1 1.407(3)
C21 H21A 0.9600
C21 H21B 0.9600
C21 H21C 0.9600
C22 H22A 0.9600
C22 H22B 0.9600
C22 H22C 0.9600
C23 H23A 0.9600
C23 H23B 0.9600
C23 H23C 0.9600
C24 H24A 0.9600
C24 H24B 0.9600
C24 H24C 0.9600
C25 H25A 0.9600
C25 H25B 0.9600
C25 H25C 0.9600
C26 H26A 0.9600
C26 H26B 0.9600
C26 H26C 0.9600
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C21 H21B O4 0.96 2.60 3.400(4) 140.9 1_655
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
O1 C1 C2 C3 60.3(3)
C10 C1 C2 C3 -57.5(3)
C1 C2 C3 O2 -129.1(3)
C1 C2 C3 C4 51.9(3)
O2 C3 C4 C23 17.3(3)
C2 C3 C4 C23 -163.7(2)
O2 C3 C4 C24 -100.0(3)
C2 C3 C4 C24 79.0(3)
O2 C3 C4 C5 136.4(3)
C2 C3 C4 C5 -44.6(3)
C23 C4 C5 C6 -64.4(2)
C3 C4 C5 C6 176.48(19)
C24 C4 C5 C6 55.6(3)
C23 C4 C5 C10 164.77(19)
C3 C4 C5 C10 45.7(2)
C24 C4 C5 C10 -75.2(3)
C10 C5 C6 C7 -69.4(2)
C4 C5 C6 C7 156.66(18)
C5 C6 C7 C8 55.4(3)
C6 C7 C8 C16 90.3(2)
C6 C7 C8 C9 -29.8(3)
C6 C7 C8 C11 -152.93(18)
C16 C8 C9 O3 72.1(3)
C7 C8 C9 O3 -167.8(2)
C11 C8 C9 O3 -44.3(3)
C16 C8 C9 C10 -101.6(2)
C7 C8 C9 C10 18.6(3)
C11 C8 C9 C10 142.03(18)
O1 C1 C10 C9 56.7(2)
C2 C1 C10 C9 176.81(18)
O1 C1 C10 C22 169.88(17)
C2 C1 C10 C22 -70.0(2)
O1 C1 C10 C5 -62.33(19)
C2 C1 C10 C5 57.8(2)
O3 C9 C10 C1 37.3(3)
C8 C9 C10 C1 -149.09(18)
O3 C9 C10 C22 -79.7(3)
C8 C9 C10 C22 94.0(2)
O3 C9 C10 C5 155.4(2)
C8 C9 C10 C5 -30.9(2)
C6 C5 C10 C1 173.36(16)
C4 C5 C10 C1 -53.8(2)
C6 C5 C10 C9 55.5(2)
C4 C5 C10 C9 -171.70(17)
C6 C5 C10 C22 -62.4(2)
C4 C5 C10 C22 70.4(2)
C16 C8 C11 C18 65.06(19)
C9 C8 C11 C18 -178.42(16)
C7 C8 C11 C18 -52.0(2)
C16 C8 C11 C12 -55.1(2)
C9 C8 C11 C12 61.4(2)
C7 C8 C11 C12 -172.16(17)
C16 C8 C11 C20 174.26(19)
C9 C8 C11 C20 -69.2(2)
C7 C8 C11 C20 57.2(2)
C18 C11 C12 C13 -46.9(3)
C20 C11 C12 C13 -160.3(2)
C8 C11 C12 C13 69.6(2)
C18 C11 C12 C25 127.8(2)
C20 C11 C12 C25 14.5(3)
C8 C11 C12 C25 -115.6(2)
C25 C12 C13 C14 -179.2(2)
C11 C12 C13 C14 -4.4(3)
C12 C13 C14 O4 173.8(2)
C12 C13 C14 C15 -7.7(3)
O4 C14 C15 C17 -114.8(2)
C13 C14 C15 C17 66.8(2)
O4 C14 C15 C26 6.8(3)
C13 C14 C15 C26 -171.6(2)
O4 C14 C15 C16 126.6(2)
C13 C14 C15 C16 -51.9(2)
C9 C8 C16 C15 -149.44(18)
C7 C8 C16 C15 86.2(2)
C11 C8 C16 C15 -32.0(2)
C17 C15 C16 C8 -20.0(3)
C26 C15 C16 C8 -145.3(2)
C14 C15 C16 C8 94.7(2)
C26 C15 C17 C18 168.0(2)
C14 C15 C17 C18 -71.0(2)
C16 C15 C17 C18 43.4(3)
C15 C17 C18 C19 -174.5(2)
C15 C17 C18 C11 -6.8(3)
C12 C11 C18 C17 73.7(2)
C20 C11 C18 C17 -165.6(2)
C8 C11 C18 C17 -48.5(2)
C12 C11 C18 C19 -116.60(19)
C20 C11 C18 C19 4.1(2)
C8 C11 C18 C19 121.17(18)
C17 C18 C19 O6 -13.3(4)
C11 C18 C19 O6 178.0(3)
C17 C18 C19 O7 165.3(2)
C11 C18 C19 O7 -3.5(3)
C18 C11 C20 O7 -3.4(2)
C12 C11 C20 O7 115.2(2)
C8 C11 C20 O7 -114.2(2)
C10 C1 O1 C21 -159.4(2)
C2 C1 O1 C21 79.6(3)
O6 C19 O7 C20 179.8(3)
C18 C19 O7 C20 1.1(3)
C11 C20 O7 C19 1.6(3)
