# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_190329pjp_0m
_database_code_depnum_ccdc_archive 'CCDC 1968770'
loop_
_audit_author_name
_audit_author_address
'Yankai Liu'
;Ocean University of China
China
;
_audit_update_record             
;
2019-11-28 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2019-03-30
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.03.18 svn.r3573 for OlexSys, GUI svn.r5716)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H25 N O6'
_chemical_formula_sum            'C19 H25 N O6'
_chemical_formula_weight         363.40
_chemical_absolute_configuration .
_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'
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'

_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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.9242(19)
_cell_length_b                   7.1718(13)
_cell_length_c                   12.651(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.167(3)
_cell_angle_gamma                90
_cell_volume                     956.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2089
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      22.033
_cell_measurement_theta_min      2.197
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/3 (Bruker,2014/3) was used for absorption correction. wR2(int) was 0.1147 before and 0.0336 after correction. The Ratio of minimum to maximum transmission is 0.9309. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             388
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5788
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.521
_diffrn_reflns_theta_min         2.864
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.860
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                3117
_reflns_number_total             3910
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         0.121
_refine_diff_density_min         -0.130
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.4(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         3910
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0406
_refine_ls_restrained_S_all      1.034
_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)+(0.0390P)²+0.0583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0893
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 1.4(13)
 -0.4(13)
2. 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
3.a Ternary CH refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7)
3.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
3.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16)
3.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_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 0.29342(16) 0.7716(3) 0.63425(13) 0.0561(5) Uani 1 1 d . . . . .
O2 O 0.48168(17) 0.8205(3) 0.59352(14) 0.0617(5) Uani 1 1 d . . . . .
O3 O 0.39722(16) 0.7880(3) 0.84174(13) 0.0563(5) Uani 1 1 d . . . . .
O4 O 0.44406(15) 0.4666(3) 0.86090(13) 0.0502(5) Uani 1 1 d . . . . .
O5 O 0.55534(15) 0.4253(2) 0.72834(12) 0.0419(4) Uani 1 1 d . . . . .
O6 O 0.80037(19) 0.1669(3) 0.94188(18) 0.0663(6) Uani 1 1 d . . . . .
C1 C 0.4174(2) 0.8059(4) 0.6573(2) 0.0460(6) Uani 1 1 d . . . . .
N1 N 0.46708(19) 0.8440(3) 0.76655(16) 0.0463(5) Uani 1 1 d . . . . .
C3 C 0.4698(3) 0.6463(4) 0.90744(19) 0.0508(7) Uani 1 1 d . . . . .
H3 H 0.454631 0.647788 0.980435 0.061 Uiso 1 1 calc R . . . .
C4 C 0.5541(2) 0.3905(4) 0.83642(18) 0.0402(6) Uani 1 1 d . . . . .
H4 H 0.560388 0.256331 0.851706 0.048 Uiso 1 1 calc R . . . .
C5 C 0.4592(3) 0.3239(5) 0.6512(2) 0.0569(7) Uani 1 1 d . . . . .
H5A H 0.464510 0.351118 0.578269 0.085 Uiso 1 1 calc GR . . . .
H5B H 0.377210 0.359758 0.658734 0.085 Uiso 1 1 calc GR . . . .
H5C H 0.471307 0.192608 0.664945 0.085 Uiso 1 1 calc GR . . . .
C6 C 0.6645(2) 0.4941(4) 0.91230(18) 0.0419(6) Uani 1 1 d . . . . .
H6 H 0.678112 0.439118 0.985372 0.050 Uiso 1 1 calc R . . . .
C7 C 0.6087(2) 0.6879(4) 0.9165(2) 0.0483(7) Uani 1 1 d . . . . .
H7 H 0.648723 0.750571 0.985763 0.058 Uiso 1 1 calc R . . . .
C8 C 0.6025(2) 0.8174(4) 0.8182(2) 0.0493(6) Uani 1 1 d . . . . .
H8A H 0.643183 0.935723 0.842375 0.059 Uiso 1 1 calc R . . . .
H8B H 0.644075 0.760436 0.767286 0.059 Uiso 1 1 calc R . . . .
C9 C 0.7894(2) 0.4817(4) 0.8810(2) 0.0451(6) Uani 1 1 d . . . . .
H9A H 0.775385 0.516382 0.804649 0.054 Uiso 1 1 calc R . . . .
H9B H 0.848807 0.570111 0.924590 0.054 Uiso 1 1 calc R . . . .
C10 C 0.8468(2) 0.2894(4) 0.8977(2) 0.0463(6) Uani 1 1 d . . . . .
C11 C 0.9625(2) 0.2482(4) 0.8585(2) 0.0476(6) Uani 1 1 d . . . . .
C12 C 0.9974(3) 0.0641(5) 0.8499(2) 0.0613(8) Uani 1 1 d . . . . .
H12 H 0.948848 -0.031670 0.867621 0.074 Uiso 1 1 calc R . . . .
C13 C 1.1042(3) 0.0223(6) 0.8151(3) 0.0782(11) Uani 1 1 d . . . . .
H13 H 1.126823 -0.101455 0.808886 0.094 Uiso 1 1 calc R . . . .
C14 C 1.1765(3) 0.1624(7) 0.7898(3) 0.0822(12) Uani 1 1 d . . . . .
H14 H 1.248566 0.133515 0.766972 0.099 Uiso 1 1 calc R . . . .
C15 C 1.1435(3) 0.3448(6) 0.7978(3) 0.0786(11) Uani 1 1 d . . . . .
H15 H 1.193015 0.439531 0.780479 0.094 Uiso 1 1 calc R . . . .
C16 C 1.0360(2) 0.3885(5) 0.8318(2) 0.0631(8) Uani 1 1 d . . . . .
H16 H 1.013369 0.512568 0.836624 0.076 Uiso 1 1 calc R . . . .
C17 C 0.2150(3) 0.7836(5) 0.5194(2) 0.0638(8) Uani 1 1 d . . . . .
C18 C 0.2291(3) 0.9744(6) 0.4736(3) 0.0786(10) Uani 1 1 d . . . . .
H18A H 0.215059 1.068116 0.523361 0.118 Uiso 1 1 calc GR . . . .
H18B H 0.168089 0.988905 0.404091 0.118 Uiso 1 1 calc GR . . . .
H18C H 0.313088 0.987682 0.464259 0.118 Uiso 1 1 calc GR . . . .
C19 C 0.0827(3) 0.7583(6) 0.5347(3) 0.0878(12) Uani 1 1 d . . . . .
H19A H 0.078204 0.641715 0.570733 0.132 Uiso 1 1 calc GR . . . .
H19B H 0.021851 0.758761 0.464476 0.132 Uiso 1 1 calc GR . . . .
H19C H 0.064389 0.858510 0.578494 0.132 Uiso 1 1 calc GR . . . .
C20 C 0.2476(4) 0.6270(6) 0.4508(3) 0.0918(13) Uani 1 1 d . . . . .
H20A H 0.332833 0.642766 0.445009 0.138 Uiso 1 1 calc GR . . . .
H20B H 0.190047 0.629518 0.379020 0.138 Uiso 1 1 calc GR . . . .
H20C H 0.240422 0.509451 0.485058 0.138 Uiso 1 1 calc GR . . . .


_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 C1 1.332(3) . ?
O1 C17 1.484(3) . ?
O2 C1 1.204(3) . ?
O3 N1 1.424(3) . ?
O3 C3 1.417(3) . ?
O4 C3 1.414(4) . ?
O4 C4 1.427(3) . ?
O5 C4 1.393(3) . ?
O5 C5 1.431(3) . ?
O6 C10 1.220(3) . ?
C1 N1 1.374(3) . ?
N1 C8 1.464(3) . ?
C3 H3 0.9800 . ?
C3 C7 1.521(4) . ?
C4 H4 0.9800 . ?
C4 C6 1.524(4) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6 0.9800 . ?
C6 C7 1.524(4) . ?
C6 C9 1.519(3) . ?
C7 H7 0.9800 . ?
C7 C8 1.540(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.507(4) . ?
C10 C11 1.503(4) . ?
C11 C12 1.387(4) . ?
C11 C16 1.384(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.367(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.368(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.387(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.509(5) . ?
C17 C19 1.519(4) . ?
C17 C20 1.517(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
C1 O1 C17 119.8(2) . . ?
C3 O3 N1 106.17(17) . . ?
C3 O4 C4 110.61(19) . . ?
C4 O5 C5 112.57(19) . . ?
O1 C1 N1 111.6(2) . . ?
O2 C1 O1 127.4(2) . . ?
O2 C1 N1 120.7(2) . . ?
O3 N1 C8 108.70(18) . . ?
C1 N1 O3 118.5(2) . . ?
C1 N1 C8 120.6(2) . . ?
O3 C3 H3 109.8 . . ?
O3 C3 C7 107.3(2) . . ?
O4 C3 O3 112.9(2) . . ?
O4 C3 H3 109.8 . . ?
O4 C3 C7 107.2(2) . . ?
C7 C3 H3 109.8 . . ?
O4 C4 H4 110.6 . . ?
O4 C4 C6 104.45(19) . . ?
O5 C4 O4 111.66(18) . . ?
O5 C4 H4 110.6 . . ?
O5 C4 C6 108.8(2) . . ?
C6 C4 H4 110.6 . . ?
O5 C5 H5A 109.5 . . ?
O5 C5 H5B 109.5 . . ?
O5 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6 107.3 . . ?
C7 C6 C4 102.1(2) . . ?
C7 C6 H6 107.3 . . ?
C9 C6 C4 115.0(2) . . ?
C9 C6 H6 107.3 . . ?
C9 C6 C7 117.2(2) . . ?
C3 C7 C6 102.7(2) . . ?
C3 C7 H7 111.1 . . ?
C3 C7 C8 103.00(19) . . ?
C6 C7 H7 111.1 . . ?
C6 C7 C8 117.1(2) . . ?
C8 C7 H7 111.1 . . ?
N1 C8 C7 105.4(2) . . ?
N1 C8 H8A 110.7 . . ?
N1 C8 H8B 110.7 . . ?
C7 C8 H8A 110.7 . . ?
C7 C8 H8B 110.7 . . ?
H8A C8 H8B 108.8 . . ?
C6 C9 H9A 109.0 . . ?
C6 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 C6 112.7(2) . . ?
C10 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
O6 C10 C9 121.0(2) . . ?
O6 C10 C11 119.7(3) . . ?
C11 C10 C9 119.3(2) . . ?
C12 C11 C10 119.1(3) . . ?
C16 C11 C10 122.0(3) . . ?
C16 C11 C12 118.9(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(4) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.4(3) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
C11 C16 C15 120.3(3) . . ?
C11 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
O1 C17 C18 109.7(3) . . ?
O1 C17 C19 101.1(2) . . ?
O1 C17 C20 110.8(3) . . ?
C18 C17 C19 110.7(3) . . ?
C18 C17 C20 112.9(3) . . ?
C20 C17 C19 111.0(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
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 . . ?

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
O1 C1 N1 O3 18.9(3) . . . . ?
O1 C1 N1 C8 157.0(2) . . . . ?
O2 C1 N1 O3 -167.0(2) . . . . ?
O2 C1 N1 C8 -28.9(4) . . . . ?
O3 N1 C8 C7 16.3(3) . . . . ?
O3 C3 C7 C6 -142.2(2) . . . . ?
O3 C3 C7 C8 -20.2(3) . . . . ?
O4 C3 C7 C6 -20.6(2) . . . . ?
O4 C3 C7 C8 101.4(2) . . . . ?
O4 C4 C6 C7 -34.9(2) . . . . ?
O4 C4 C6 C9 -163.0(2) . . . . ?
O5 C4 C6 C7 84.4(2) . . . . ?
O5 C4 C6 C9 -43.6(3) . . . . ?
O6 C10 C11 C12 14.7(4) . . . . ?
O6 C10 C11 C16 -164.6(3) . . . . ?
C1 O1 C17 C18 -56.5(4) . . . . ?
C1 O1 C17 C19 -173.4(3) . . . . ?
C1 O1 C17 C20 68.9(4) . . . . ?
C1 N1 C8 C7 -125.4(3) . . . . ?
N1 O3 C3 O4 -87.0(2) . . . . ?
N1 O3 C3 C7 31.0(2) . . . . ?
C3 O3 N1 C1 112.8(2) . . . . ?
C3 O3 N1 C8 -29.8(3) . . . . ?
C3 O4 C4 O5 -94.2(2) . . . . ?
C3 O4 C4 C6 23.2(2) . . . . ?
C3 C7 C8 N1 2.3(3) . . . . ?
C4 O4 C3 O3 116.5(2) . . . . ?
C4 O4 C3 C7 -1.5(2) . . . . ?
C4 C6 C7 C3 33.2(2) . . . . ?
C4 C6 C7 C8 -78.7(3) . . . . ?
C4 C6 C9 C10 -69.7(3) . . . . ?
C5 O5 C4 O4 -68.9(3) . . . . ?
C5 O5 C4 C6 176.4(2) . . . . ?
C6 C7 C8 N1 114.0(2) . . . . ?
C6 C9 C10 O6 -6.5(3) . . . . ?
C6 C9 C10 C11 173.0(2) . . . . ?
C7 C6 C9 C10 170.3(2) . . . . ?
C9 C6 C7 C3 159.86(19) . . . . ?
C9 C6 C7 C8 47.9(3) . . . . ?
C9 C10 C11 C12 -164.8(2) . . . . ?
C9 C10 C11 C16 15.9(3) . . . . ?
C10 C11 C12 C13 -179.3(2) . . . . ?
C10 C11 C16 C15 178.8(3) . . . . ?
C11 C12 C13 C14 0.5(5) . . . . ?
C12 C11 C16 C15 -0.5(4) . . . . ?
C12 C13 C14 C15 -0.5(5) . . . . ?
C13 C14 C15 C16 0.0(6) . . . . ?
C14 C15 C16 C11 0.5(5) . . . . ?
C16 C11 C12 C13 0.0(4) . . . . ?
C17 O1 C1 O2 -11.9(5) . . . . ?
C17 O1 C1 N1 161.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1.4(13)
2 -0.4(13)

