# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_cu_2021574_0m
_database_code_depnum_ccdc_archive 'CCDC 2082769'
loop_
_audit_author_name
_audit_author_address
'Bin Zhou'
;shanghai institute of material medica
China
;
_audit_update_record             
;
2021-05-10 deposited with the CCDC.	2021-06-18 downloaded from the CCDC.
;
_audit_creation_date             2021-05-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H46 O5'
_chemical_formula_sum            'C38 H46 O5'
_chemical_formula_weight         582.75
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   18.0938(10)
_cell_length_b                   7.0743(4)
_cell_length_c                   24.2239(14)
_cell_angle_alpha                90
_cell_angle_beta                 92.505(3)
_cell_angle_gamma                90
_cell_volume                     3097.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    170
_cell_measurement_theta_max      74.653
_cell_measurement_theta_min      3.653
_shelx_estimated_absorpt_T_max   0.975
_shelx_estimated_absorpt_T_min   0.945
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.5890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1475 before and 0.0761 after correction. The Ratio of minimum to maximum transmission is 0.7814. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            19994
_diffrn_reflns_point_group_measured_fraction_full 0.956
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.103
_diffrn_reflns_theta_min         1.825
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.759
_reflns_Friedel_fraction_full    0.912
_reflns_Friedel_fraction_max     0.895
_reflns_number_gt                5256
_reflns_number_total             5765
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.351
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 
;
 Flack x determined using 2073 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.13(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         5765
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0516
_refine_ls_restrained_S_all      1.087
_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)+(0.0849P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1279
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Others
 Fixed Sof: C26(0.5) H26A(0.5) H26B(0.5) O017(0.5) H017(0.5) O5(0.5) H5A(0.5)
 C26A(0.5) H26C(0.5) H26D(0.5)
3.a Ternary CH refined with riding coordinates:
 C5(H5), C22(H22), C9(H9), C20(H20), C17(H17), C23(H23)
3.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C6(H6A,H6B), C16(H16A,H16B), C1(H1A,H1B), C30(H30A,H30B),
 C26(H26A,H26B), C26A(H26C,H26D)
3.c Aromatic/amide H refined with riding coordinates:
 C11(H11), C2(H2), C12(H12), C1'(H1'), C2'(H2'), C4'(H4'), C24(H24), C8'(H8'),
 C6'(H6'), C5'(H5'), C7'(H7')
3.d Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C28(H28A,H28B,H28C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C27(H27A,H27B,H27C)
3.e Idealised tetrahedral OH refined as rotating group:
 O017(H017), O5(H5A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O3 O 0.28395(12) 0.8219(3) 0.98676(8) 0.0417(5) Uani 1 1 d . . . . .
O1 O 0.41736(14) -0.0515(3) 0.75611(9) 0.0474(5) Uani 1 1 d . . . . .
O4 O 0.45025(13) 0.5764(4) 0.95403(9) 0.0482(5) Uani 1 1 d . . . . .
O2 O 0.20052(13) 0.7568(4) 0.91919(11) 0.0561(6) Uani 1 1 d . . . . .
C5 C 0.36389(14) 0.1455(3) 0.63114(10) 0.0289(5) Uani 1 1 d . . . . .
H5 H 0.414895 0.192603 0.640949 0.035 Uiso 1 1 calc R . . . .
C11 C 0.28163(16) 0.5152(4) 0.73103(11) 0.0343(5) Uani 1 1 d . . . . .
H11 H 0.254460 0.593033 0.705442 0.041 Uiso 1 1 calc R . . . .
C2 C 0.35293(17) 0.4473(4) 0.55676(11) 0.0354(6) Uani 1 1 d . . . . .
H2 H 0.354045 0.553530 0.532832 0.042 Uiso 1 1 calc R . . . .
C3 C 0.36552(15) 0.2786(4) 0.53465(10) 0.0321(5) Uani 1 1 d . . . . .
C15 C 0.33357(18) 0.1122(4) 0.85877(11) 0.0372(6) Uani 1 1 d . . . . .
H15A H 0.375051 0.021463 0.863345 0.045 Uiso 1 1 calc R . . . .
H15B H 0.286674 0.040427 0.854605 0.045 Uiso 1 1 calc R . . . .
C12 C 0.28084(16) 0.5546(3) 0.78459(11) 0.0340(5) Uani 1 1 d . . . . .
H12 H 0.253480 0.660733 0.796375 0.041 Uiso 1 1 calc R . . . .
C3' C 0.42264(16) 0.3806(4) 0.38435(12) 0.0381(6) Uani 1 1 d . . . . .
C14 C 0.34373(15) 0.2387(4) 0.80866(10) 0.0314(5) Uani 1 1 d . . . . .
C22 C 0.37607(16) 0.5967(4) 0.96815(11) 0.0365(6) Uani 1 1 d . . . . .
H22 H 0.361369 0.486222 0.990961 0.044 Uiso 1 1 calc R . . . .
C6 C 0.35345(16) -0.0292(3) 0.66829(11) 0.0328(5) Uani 1 1 d . . . . .
H6A H 0.302362 -0.077738 0.662657 0.039 Uiso 1 1 calc R . . . .
H6B H 0.388018 -0.130243 0.657876 0.039 Uiso 1 1 calc R . . . .
C9 C 0.32494(15) 0.3485(3) 0.70972(10) 0.0295(5) Uani 1 1 d . . . . .
H9 H 0.377937 0.388258 0.713752 0.035 Uiso 1 1 calc R . . . .
C1' C 0.37900(16) 0.2614(4) 0.47510(10) 0.0346(5) Uani 1 1 d . . . . .
H1' H 0.361557 0.149964 0.456931 0.041 Uiso 1 1 calc R . . . .
C7 C 0.36773(15) 0.0218(4) 0.72852(10) 0.0317(5) Uani 1 1 d . . . . .
C16 C 0.33204(18) 0.2470(4) 0.90883(11) 0.0384(6) Uani 1 1 d . . . . .
H16A H 0.300933 0.194307 0.937723 0.046 Uiso 1 1 calc R . . . .
H16B H 0.382629 0.267702 0.924929 0.046 Uiso 1 1 calc R . . . .
C21 C 0.26127(17) 0.7336(4) 0.93924(12) 0.0387(6) Uani 1 1 d . . . . .
C13 C 0.32156(15) 0.4373(3) 0.82641(10) 0.0312(5) Uani 1 1 d . . . . .
C2' C 0.41341(16) 0.3881(4) 0.44460(11) 0.0366(6) Uani 1 1 d . . . . .
H2' H 0.434165 0.494294 0.463601 0.044 Uiso 1 1 calc R . . . .
C4 C 0.36436(15) 0.0952(4) 0.56835(10) 0.0312(5) Uani 1 1 d . . . . .
C8 C 0.31819(15) 0.1770(3) 0.75063(10) 0.0305(5) Uani 1 1 d . . . . .
C1 C 0.33716(17) 0.4845(3) 0.61597(10) 0.0349(6) Uani 1 1 d . . . . .
H1A H 0.298452 0.583048 0.617465 0.042 Uiso 1 1 calc R . . . .
H1B H 0.382491 0.534467 0.635147 0.042 Uiso 1 1 calc R . . . .
C30 C 0.40188(15) 0.3895(4) 0.81787(10) 0.0344(5) Uani 1 1 d . . . . .
H30A H 0.424891 0.442652 0.784947 0.041 Uiso 1 1 calc R . . . .
H30B H 0.435472 0.378544 0.851092 0.041 Uiso 1 1 calc R . . . .
C20 C 0.32336(15) 0.6140(4) 0.91764(11) 0.0339(5) Uani 1 1 d . . . . .
H20 H 0.349070 0.694942 0.890598 0.041 Uiso 1 1 calc R . . . .
C17 C 0.29896(15) 0.4337(4) 0.88600(11) 0.0332(5) Uani 1 1 d . . . . .
H17 H 0.243813 0.424642 0.886155 0.040 Uiso 1 1 calc R . . . .
C10 C 0.31143(15) 0.3082(3) 0.64684(10) 0.0305(5) Uani 1 1 d . . . . .
C29 C 0.29814(17) -0.0259(4) 0.54772(11) 0.0364(6) Uani 1 1 d . . . . .
H29A H 0.292125 -0.132706 0.572894 0.055 Uiso 1 1 calc GR . . . .
H29B H 0.306986 -0.073474 0.510591 0.055 Uiso 1 1 calc GR . . . .
H29C H 0.253134 0.051326 0.546532 0.055 Uiso 1 1 calc GR . . . .
C28 C 0.43520(17) -0.0177(4) 0.55831(11) 0.0376(6) Uani 1 1 d . . . . .
H28A H 0.478451 0.055385 0.571559 0.056 Uiso 1 1 calc GR . . . .
H28B H 0.438456 -0.042302 0.518680 0.056 Uiso 1 1 calc GR . . . .
H28C H 0.433829 -0.137972 0.578294 0.056 Uiso 1 1 calc GR . . . .
C4' C 0.45137(18) 0.5362(5) 0.35754(14) 0.0477(7) Uani 1 1 d . . . . .
H4' H 0.465656 0.644934 0.378403 0.057 Uiso 1 1 calc R . . . .
C25 C 0.42008(19) 0.8765(7) 1.09156(15) 0.0589(10) Uani 1 1 d . . . . .
C23 C 0.36182(17) 0.7809(4) 0.99964(12) 0.0396(6) Uani 1 1 d . . . . .
H23 H 0.393011 0.884385 0.984848 0.047 Uiso 1 1 calc R . . . .
C18 C 0.23822(16) 0.1023(4) 0.75245(12) 0.0374(6) Uani 1 1 d . . . . .
H18A H 0.237469 -0.011003 0.775708 0.056 Uiso 1 1 calc GR . . . .
H18B H 0.219795 0.070592 0.714942 0.056 Uiso 1 1 calc GR . . . .
H18C H 0.206615 0.199732 0.767854 0.056 Uiso 1 1 calc GR . . . .
C19 C 0.22933(16) 0.2737(4) 0.62975(11) 0.0378(6) Uani 1 1 d . . . . .
H19A H 0.220568 0.307193 0.590754 0.057 Uiso 1 1 calc GR . . . .
H19B H 0.197977 0.351910 0.652544 0.057 Uiso 1 1 calc GR . . . .
H19C H 0.217325 0.140024 0.635092 0.057 Uiso 1 1 calc GR . . . .
C24 C 0.37664(18) 0.7639(6) 1.06026(12) 0.0467(7) Uani 1 1 d . . . . .
H24 H 0.352894 0.663153 1.078412 0.056 Uiso 1 1 calc R . . . .
C8' C 0.4040(2) 0.2228(6) 0.35248(13) 0.0504(8) Uani 1 1 d . . . . .
H8' H 0.385008 0.113621 0.369781 0.060 Uiso 1 1 calc R . . . .
C6' C 0.4400(2) 0.3783(8) 0.26991(14) 0.0608(10) Uani 1 1 d . . . . .
H6' H 0.445367 0.377982 0.231076 0.073 Uiso 1 1 calc R . . . .
C5' C 0.4596(2) 0.5354(7) 0.30074(15) 0.0599(10) Uani 1 1 d . . . . .
H5' H 0.478740 0.643738 0.283139 0.072 Uiso 1 1 calc R . . . .
C7' C 0.4125(2) 0.2222(7) 0.29576(14) 0.0607(10) Uani 1 1 d . . . . .
H7' H 0.399340 0.112991 0.274731 0.073 Uiso 1 1 calc R . . . .
C26 C 0.4399(11) 0.853(2) 1.1459(7) 0.055(4) Uani 0.5 1 d . . P A 1
H26A H 0.404183 0.768540 1.163421 0.066 Uiso 0.5 1 calc R . P A 1
H26B H 0.439539 0.976587 1.165050 0.066 Uiso 0.5 1 calc R . P A 1
C27 C 0.4563(2) 1.0543(7) 1.0723(2) 0.0765(14) Uani 1 1 d . . . . .
H27A H 0.510037 1.044438 1.078826 0.115 Uiso 1 1 calc GR . . . .
H27B H 0.437772 1.162623 1.092750 0.115 Uiso 1 1 calc GR . . . .
H27C H 0.444872 1.071853 1.032701 0.115 Uiso 1 1 calc GR . . . .
O017 O 0.5114(3) 0.7736(9) 1.1505(2) 0.0552(12) Uani 0.5 1 d . . P A 1
H017 H 0.535500 0.824667 1.176966 0.083 Uiso 0.5 1 calc GR . P A 1
O5 O 0.4339(4) 0.9145(15) 1.1942(3) 0.090(2) Uani 0.5 1 d . . P A 2
H5A H 0.474546 0.971674 1.197479 0.135 Uiso 0.5 1 calc GR . P A 2
C26A C 0.4371(13) 0.786(3) 1.1547(7) 0.062(4) Uani 0.5 1 d . . P A 2
H26C H 0.400544 0.684843 1.161388 0.075 Uiso 0.5 1 calc R . P A 2
H26D H 0.486877 0.727093 1.156368 0.075 Uiso 0.5 1 calc R . P A 2
H4 H 0.466(4) 0.649(11) 0.922(3) 0.10(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
O3 C21 1.357(4) . ?
O3 C23 1.459(4) . ?
O1 C7 1.212(4) . ?
O4 C22 1.407(4) . ?
O2 C21 1.193(4) . ?
C5 C6 1.545(3) . ?
C5 C4 1.562(3) . ?
C5 C10 1.550(3) . ?
C11 C12 1.328(4) . ?
C11 C9 1.518(4) . ?
C2 C3 1.331(4) . ?
C2 C1 1.498(4) . ?
C3 C1' 1.478(4) . ?
C3 C4 1.534(3) . ?
C15 C14 1.526(4) . ?
C15 C16 1.544(4) . ?
C12 C13 1.481(4) . ?
C3' C2' 1.477(4) . ?
C3' C4' 1.390(5) . ?
C3' C8' 1.390(5) . ?
C14 C13 1.528(3) . ?
C14 C8 1.524(4) . ?
C14 C30 1.508(4) . ?
C22 C20 1.523(4) . ?
C22 C23 1.537(4) . ?
C6 C7 1.514(3) . ?
C9 C8 1.575(3) . ?
C9 C10 1.558(3) . ?
C1' C2' 1.333(4) . ?
C7 C8 1.529(4) . ?
C16 C17 1.543(4) . ?
C21 C20 1.518(4) . ?
C13 C30 1.515(4) . ?
C13 C17 1.517(4) . ?
C4 C29 1.539(4) . ?
C4 C28 1.539(4) . ?
C8 C18 1.543(4) . ?
C1 C10 1.537(3) . ?
C20 C17 1.542(4) . ?
C10 C19 1.544(4) . ?
C4' C5' 1.390(5) . ?
C25 C24 1.332(5) . ?
C25 C26 1.359(18) . ?
C25 C27 1.503(7) . ?
C25 C26A 1.676(17) . ?
C23 C24 1.486(4) . ?
C8' C7' 1.389(5) . ?
C6' C5' 1.377(7) . ?
C6' C7' 1.373(7) . ?
C26 O017 1.41(2) . ?
O5 C26A 1.33(2) . ?

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
C21 O3 C23 110.1(2) . . ?
C6 C5 C4 113.0(2) . . ?
C6 C5 C10 111.0(2) . . ?
C10 C5 C4 115.9(2) . . ?
C12 C11 C9 121.5(2) . . ?
C3 C2 C1 125.9(2) . . ?
C2 C3 C1' 120.3(2) . . ?
C2 C3 C4 122.5(2) . . ?
C1' C3 C4 117.2(2) . . ?
C14 C15 C16 105.6(2) . . ?
C11 C12 C13 121.6(2) . . ?
C4' C3' C2' 119.6(3) . . ?
C4' C3' C8' 117.6(3) . . ?
C8' C3' C2' 122.8(3) . . ?
C15 C14 C13 105.8(2) . . ?
C8 C14 C15 121.6(2) . . ?
C8 C14 C13 116.8(2) . . ?
C30 C14 C15 113.9(2) . . ?
C30 C14 C13 59.88(18) . . ?
C30 C14 C8 121.4(2) . . ?
O4 C22 C20 112.5(2) . . ?
O4 C22 C23 112.9(2) . . ?
C20 C22 C23 102.6(2) . . ?
C7 C6 C5 110.5(2) . . ?
C11 C9 C8 109.2(2) . . ?
C11 C9 C10 114.4(2) . . ?
C10 C9 C8 117.4(2) . . ?
C2' C1' C3 125.9(3) . . ?
O1 C7 C6 121.4(2) . . ?
O1 C7 C8 123.1(2) . . ?
C6 C7 C8 115.5(2) . . ?
C17 C16 C15 105.5(2) . . ?
O3 C21 C20 110.4(2) . . ?
O2 C21 O3 121.4(3) . . ?
O2 C21 C20 128.2(3) . . ?
C12 C13 C14 116.8(2) . . ?
C12 C13 C30 118.9(2) . . ?
C12 C13 C17 120.9(2) . . ?
C30 C13 C14 59.41(17) . . ?
C30 C13 C17 115.2(2) . . ?
C17 C13 C14 109.7(2) . . ?
C1' C2' C3' 126.8(3) . . ?
C3 C4 C5 109.1(2) . . ?
C3 C4 C29 109.1(2) . . ?
C3 C4 C28 108.9(2) . . ?
C29 C4 C5 113.9(2) . . ?
C28 C4 C5 108.2(2) . . ?
C28 C4 C29 107.6(2) . . ?
C14 C8 C9 109.3(2) . . ?
C14 C8 C7 111.7(2) . . ?
C14 C8 C18 108.6(2) . . ?
C7 C8 C9 105.67(19) . . ?
C7 C8 C18 109.2(2) . . ?
C18 C8 C9 112.4(2) . . ?
C2 C1 C10 113.4(2) . . ?
C14 C30 C13 60.71(17) . . ?
C22 C20 C17 119.2(2) . . ?
C21 C20 C22 102.4(2) . . ?
C21 C20 C17 115.6(2) . . ?
C13 C17 C16 103.8(2) . . ?
C13 C17 C20 112.1(2) . . ?
C20 C17 C16 115.6(2) . . ?
C5 C10 C9 107.71(19) . . ?
C1 C10 C5 106.3(2) . . ?
C1 C10 C9 106.81(19) . . ?
C1 C10 C19 107.8(2) . . ?
C19 C10 C5 114.1(2) . . ?
C19 C10 C9 113.5(2) . . ?
C5' C4' C3' 121.1(4) . . ?
C24 C25 C26 127.0(8) . . ?
C24 C25 C27 125.3(4) . . ?
C24 C25 C26A 111.7(8) . . ?
C26 C25 C27 107.6(8) . . ?
C27 C25 C26A 122.7(7) . . ?
O3 C23 C22 104.1(2) . . ?
O3 C23 C24 111.0(2) . . ?
C24 C23 C22 113.2(3) . . ?
C25 C24 C23 126.2(4) . . ?
C7' C8' C3' 121.1(4) . . ?
C7' C6' C5' 119.4(3) . . ?
C6' C5' C4' 120.3(4) . . ?
C6' C7' C8' 120.4(4) . . ?
C25 C26 O017 109.2(12) . . ?
O5 C26A C25 112.5(13) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
