# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2146_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2064393'
loop_
_audit_author_name
_audit_author_address
'Vladimir Sharutin'
;South Ural State University
Russia
;
_audit_update_record             
;
2021-02-22 deposited with the CCDC.	2022-01-25 downloaded from the CCDC.
;
_audit_creation_date             2021-02-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C23 H26 O3'
_chemical_formula_sum            'C23 H26 O3'
_chemical_formula_weight         350.44
_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 0.0033 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'
O O 0.0106 0.0060 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.353(8)
_cell_length_b                   13.367(8)
_cell_length_c                   12.835(7)
_cell_angle_alpha                90
_cell_angle_beta                 100.25(2)
_cell_angle_gamma                90
_cell_volume                     1917(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7391
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.66
_cell_measurement_theta_min      6.1
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.971
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6913
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0587 before and 0.0503 after correction.
The Ratio of minimum to maximum transmission is 0.9261.
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    1.214
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.19
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            46605
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.500
_diffrn_reflns_theta_min         3.049
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3325
_reflns_number_total             4847
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.005(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         4847
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0705
_refine_ls_restrained_S_all      1.040
_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)+(0.1353P)²+0.6895P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2120
_refine_ls_wR_factor_ref         0.2405
_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. Rigid bond restraints
 C24, C25
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C25, C26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B),
 C25(H25A,H25B)
3.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C15(H15), C3(H3A), C2(H2), C12(H12)
3.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C20(H20A,H20B,H20C)
;
_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
O1 O 0.65484(16) 0.65302(11) 0.67119(12) 0.0573(4) Uani 1 1 d . . . . .
O2 O 0.68969(13) 0.49444(10) 0.64873(10) 0.0435(4) Uani 1 1 d . . . . .
O3 O 0.77571(17) 0.15004(11) 0.61813(13) 0.0584(5) Uani 1 1 d . . . . .
H3 H 0.793(3) 0.155(3) 0.683(3) 0.088 Uiso 1 1 d . U . . .
C4 C 0.9264(3) 0.8744(2) 0.4766(3) 0.0895(11) Uani 1 1 d . . . . .
H4 H 0.997042 0.910558 0.480497 0.107 Uiso 1 1 calc R U . . .
C5 C 0.8465(3) 0.8999(2) 0.5397(3) 0.0879(10) Uani 1 1 d . . . . .
H5 H 0.862723 0.953467 0.586327 0.105 Uiso 1 1 calc R U . . .
C6 C 0.7399(3) 0.84566(17) 0.5344(2) 0.0652(7) Uani 1 1 d . . . . .
H6 H 0.684888 0.863562 0.576855 0.078 Uiso 1 1 calc R U . . .
C1 C 0.71697(18) 0.76609(14) 0.46635(16) 0.0444(5) Uani 1 1 d . . . . .
C7 C 0.60348(18) 0.70483(15) 0.45959(17) 0.0464(5) Uani 1 1 d . . . . .
H7A H 0.552507 0.735193 0.503946 0.056 Uiso 1 1 calc R U . . .
H7B H 0.560404 0.705272 0.387193 0.056 Uiso 1 1 calc R U . . .
C18 C 0.62995(17) 0.59854(14) 0.49433(15) 0.0396(4) Uani 1 1 d . . . . .
C17 C 0.63148(16) 0.51808(14) 0.42996(14) 0.0378(4) Uani 1 1 d . . . . .
C16 C 0.66618(16) 0.42169(14) 0.47573(14) 0.0367(4) Uani 1 1 d . . . . .
C15 C 0.67456(18) 0.33382(15) 0.41784(15) 0.0422(4) Uani 1 1 d . . . . .
H15 H 0.654881 0.336668 0.344405 0.051 Uiso 1 1 calc R U . . .
C14 C 0.71033(19) 0.24402(15) 0.46426(15) 0.0438(5) Uani 1 1 d . . . . .
C21 C 0.7147(2) 0.15189(16) 0.39871(17) 0.0538(5) Uani 1 1 d . . . . .
H21A H 0.733059 0.171057 0.330467 0.065 Uiso 1 1 calc R U . . .
H21B H 0.779026 0.109182 0.433351 0.065 Uiso 1 1 calc R U . . .
C22 C 0.6004(3) 0.0937(2) 0.3815(2) 0.0702(7) Uani 1 1 d . . . . .
H22A H 0.534299 0.138074 0.354884 0.084 Uiso 1 1 calc R U . . .
H22B H 0.587141 0.066643 0.448596 0.084 Uiso 1 1 calc R U . . .
C23 C 0.6028(3) 0.0087(2) 0.3036(2) 0.0703(7) Uani 1 1 d . . . . .
H23A H 0.614651 0.036539 0.236472 0.084 Uiso 1 1 calc R U . . .
H23B H 0.670992 -0.033842 0.329579 0.084 Uiso 1 1 calc R U . . .
C24 C 0.4928(3) -0.0542(3) 0.2851(3) 0.0989(11) Uani 1 1 d . U . . .
H24A H 0.423878 -0.011496 0.262611 0.119 Uiso 1 1 calc R U . . .
H24B H 0.483277 -0.085529 0.351269 0.119 Uiso 1 1 calc R U . . .
C25 C 0.4955(5) -0.1369(4) 0.2002(4) 0.1349(18) Uani 1 1 d . U . . .
H25A H 0.566055 -0.178258 0.220584 0.162 Uiso 1 1 calc R U . . .
H25B H 0.425515 -0.179373 0.196300 0.162 Uiso 1 1 calc R U . . .
C26 C 0.4970(5) -0.0944(5) 0.1016(5) 0.152(2) Uani 1 1 d . U . . .
H26A H 0.426478 -0.054379 0.080997 0.228 Uiso 1 1 calc R U . . .
H26B H 0.498838 -0.146383 0.050302 0.228 Uiso 1 1 calc R U . . .
H26C H 0.566769 -0.053019 0.105354 0.228 Uiso 1 1 calc R U . . .
C3 C 0.9038(3) 0.7969(2) 0.4084(3) 0.0780(8) Uani 1 1 d . . . . .
H3A H 0.958033 0.780410 0.364761 0.094 Uiso 1 1 calc R U . . .
C2 C 0.8001(2) 0.74247(19) 0.4039(2) 0.0614(6) Uani 1 1 d . . . . .
H2 H 0.785741 0.688512 0.357607 0.074 Uiso 1 1 calc R U . . .
C19 C 0.65832(17) 0.58606(14) 0.60767(15) 0.0418(4) Uani 1 1 d . . . . .
C11 C 0.69617(16) 0.41274(13) 0.58501(14) 0.0373(4) Uani 1 1 d . . . . .
C20 C 0.5981(2) 0.52481(17) 0.31161(15) 0.0511(5) Uani 1 1 d . . . . .
H20A H 0.572987 0.591794 0.291816 0.077 Uiso 1 1 calc R U . . .
H20B H 0.533763 0.479197 0.287159 0.077 Uiso 1 1 calc R U . . .
H20C H 0.666075 0.507736 0.280198 0.077 Uiso 1 1 calc R U . . .
C13 C 0.73982(18) 0.23970(14) 0.57517(15) 0.0426(4) Uani 1 1 d . . . . .
C12 C 0.73215(18) 0.32418(14) 0.63568(15) 0.0421(4) Uani 1 1 d . . . . .
H12 H 0.750904 0.321275 0.709157 0.051 Uiso 1 1 calc R U . . .


_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
O1 C19 1.216(2) . ?
O2 C19 1.356(2) . ?
O2 C11 1.374(2) . ?
O3 H3 0.82(4) . ?
O3 C13 1.351(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.362(5) . ?
C4 C3 1.351(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.403(4) . ?
C6 H6 0.9300 . ?
C6 C1 1.371(3) . ?
C1 C7 1.516(3) . ?
C1 C2 1.379(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C18 1.503(3) . ?
C18 C17 1.358(3) . ?
C18 C19 1.443(3) . ?
C17 C16 1.441(3) . ?
C17 C20 1.501(3) . ?
C16 C15 1.402(3) . ?
C16 C11 1.388(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.369(3) . ?
C14 C21 1.497(3) . ?
C14 C13 1.404(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.496(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.517(3) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.489(4) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.556(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.391(8) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C3 H3A 0.9300 . ?
C3 C2 1.376(4) . ?
C2 H2 0.9300 . ?
C11 C12 1.377(3) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C13 C12 1.382(3) . ?
C12 H12 0.9300 . ?

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
C19 O2 C11 121.65(15) . . ?
C13 O3 H3 110(2) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.5(3) . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.1(3) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 120.1 . . ?
C1 C6 C5 119.7(3) . . ?
C1 C6 H6 120.1 . . ?
C6 C1 C7 121.2(2) . . ?
C6 C1 C2 118.4(2) . . ?
C2 C1 C7 120.4(2) . . ?
C1 C7 H7A 109.3 . . ?
C1 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C18 C7 C1 111.74(16) . . ?
C18 C7 H7A 109.3 . . ?
C18 C7 H7B 109.3 . . ?
C17 C18 C7 126.26(18) . . ?
C17 C18 C19 119.81(17) . . ?
C19 C18 C7 113.91(17) . . ?
C18 C17 C16 119.47(17) . . ?
C18 C17 C20 122.66(18) . . ?
C16 C17 C20 117.87(17) . . ?
C15 C16 C17 124.90(17) . . ?
C11 C16 C17 119.26(17) . . ?
C11 C16 C15 115.83(17) . . ?
C16 C15 H15 118.4 . . ?
C14 C15 C16 123.14(17) . . ?
C14 C15 H15 118.4 . . ?
C15 C14 C21 120.90(18) . . ?
C15 C14 C13 118.42(17) . . ?
C13 C14 C21 120.66(19) . . ?
C14 C21 H21A 108.9 . . ?
C14 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 C14 113.3(2) . . ?
C22 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
C21 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
C21 C22 C23 111.7(2) . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C22 C23 H23A 108.6 . . ?
C22 C23 H23B 108.6 . . ?
H23A C23 H23B 107.6 . . ?
C24 C23 C22 114.5(3) . . ?
C24 C23 H23A 108.6 . . ?
C24 C23 H23B 108.6 . . ?
C23 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
C23 C24 C25 113.1(3) . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C26 C25 C24 110.6(5) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C4 C3 H3A 120.1 . . ?
C4 C3 C2 119.7(3) . . ?
C2 C3 H3A 120.1 . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.5(3) . . ?
C3 C2 H2 119.2 . . ?
O1 C19 O2 116.23(18) . . ?
O1 C19 C18 124.26(19) . . ?
O2 C19 C18 119.51(16) . . ?
O2 C11 C16 120.22(17) . . ?
O2 C11 C12 116.42(16) . . ?
C12 C11 C16 123.36(17) . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O3 C13 C14 116.76(17) . . ?
O3 C13 C12 122.68(18) . . ?
C12 C13 C14 120.56(18) . . ?
C11 C12 C13 118.69(17) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?

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
O2 C11 C12 C13 179.83(17) . . . . ?
O3 C13 C12 C11 179.16(19) . . . . ?
C4 C5 C6 C1 0.7(4) . . . . ?
C4 C3 C2 C1 1.1(4) . . . . ?
C5 C4 C3 C2 -1.0(5) . . . . ?
C5 C6 C1 C7 179.1(2) . . . . ?
C5 C6 C1 C2 -0.7(4) . . . . ?
C6 C1 C7 C18 -115.9(2) . . . . ?
C6 C1 C2 C3 -0.2(4) . . . . ?
C1 C7 C18 C17 -100.8(2) . . . . ?
C1 C7 C18 C19 77.7(2) . . . . ?
C7 C1 C2 C3 180.0(2) . . . . ?
C7 C18 C17 C16 176.01(17) . . . . ?
C7 C18 C17 C20 -4.1(3) . . . . ?
C7 C18 C19 O1 4.2(3) . . . . ?
C7 C18 C19 O2 -176.73(17) . . . . ?
C18 C17 C16 C15 -178.12(18) . . . . ?
C18 C17 C16 C11 0.7(3) . . . . ?
C17 C18 C19 O1 -177.1(2) . . . . ?
C17 C18 C19 O2 1.9(3) . . . . ?
C17 C16 C15 C14 178.58(18) . . . . ?
C17 C16 C11 O2 1.7(3) . . . . ?
C17 C16 C11 C12 -178.95(17) . . . . ?
C16 C15 C14 C21 178.45(19) . . . . ?
C16 C15 C14 C13 0.1(3) . . . . ?
C16 C11 C12 C13 0.5(3) . . . . ?
C15 C16 C11 O2 -179.36(16) . . . . ?
C15 C16 C11 C12 0.0(3) . . . . ?
C15 C14 C21 C22 -90.4(3) . . . . ?
C15 C14 C13 O3 -179.46(19) . . . . ?
C15 C14 C13 C12 0.3(3) . . . . ?
C14 C21 C22 C23 172.7(2) . . . . ?
C14 C13 C12 C11 -0.6(3) . . . . ?
C21 C14 C13 O3 2.2(3) . . . . ?
C21 C14 C13 C12 -178.0(2) . . . . ?
C21 C22 C23 C24 178.4(3) . . . . ?
C22 C23 C24 C25 176.8(4) . . . . ?
C23 C24 C25 C26 -64.6(6) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
C2 C1 C7 C18 63.9(3) . . . . ?
C19 O2 C11 C16 -2.3(3) . . . . ?
C19 O2 C11 C12 178.30(17) . . . . ?
C19 C18 C17 C16 -2.5(3) . . . . ?
C19 C18 C17 C20 177.43(18) . . . . ?
C11 O2 C19 O1 179.66(17) . . . . ?
C11 O2 C19 C18 0.5(3) . . . . ?
C11 C16 C15 C14 -0.3(3) . . . . ?
C20 C17 C16 C15 2.0(3) . . . . ?
C20 C17 C16 C11 -179.21(17) . . . . ?
C13 C14 C21 C22 87.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
