# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_pn3293_a
_database_code_depnum_ccdc_archive 'CCDC 2380189'
loop_
_audit_author_name
_audit_author_address
'David Jenkins'
;University of Tennessee
United States of America
;
_audit_update_record             
;
2024-08-27 deposited with the CCDC.	2025-01-24 downloaded from the CCDC.
;
_audit_creation_date             2024-06-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H19 N2, C H O3, 7(H2 O)'
_chemical_formula_sum            'C14 H34 N2 O10'
_chemical_formula_weight         390.43
_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'
N N 0.0311 0.0180 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.0865(4)
_cell_length_b                   11.5014(5)
_cell_length_c                   12.6813(7)
_cell_angle_alpha                63.784(2)
_cell_angle_beta                 86.101(2)
_cell_angle_gamma                85.115(2)
_cell_volume                     1053.66(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      70.12
_cell_measurement_theta_min      3.89
_shelx_estimated_absorpt_T_max   0.977
_shelx_estimated_absorpt_T_min   0.649
_exptl_absorpt_coefficient_mu    0.886
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1044 before and 0.0523 after correction.
The Ratio of minimum to maximum transmission is 0.8419.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             424
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 0.00 0.1720
0.00 1.00 1.00 0.0200
0.00 -1.00 -1.00 0.0520
0.00 1.00 0.00 0.0130
0.00 -1.00 0.00 0.0100
1.00 0.00 0.00 0.2620

_exptl_crystal_size_max          0.534
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.026
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16270
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.312
_diffrn_reflns_theta_min         3.888
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3561
_reflns_number_total             3838
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.211
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         3838
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0380
_refine_ls_restrained_S_all      1.130
_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)+(0.0197P)²+0.9753P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1018
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: H8B(0.5) H9AA(0.5) H9AB(0.5) H10B(0.5) H8C(0.5) H4B(0.5) H4C(0.5)
 H9BC(0.5) H10C(0.5) H6B(0.5) H6C(0.5) H9BD(0.5)
2.a Free rotating group:
 O4(H4A), O5(H5A,H5B), O6(H6A), O7(H7A,H7B), O8(H8B,H8A), O9(H9AA,H9AB),
 O10(H10B,H10A)
2.b Ternary CH refined with riding coordinates:
 C8(H8), C10(H10)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7)
2.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C)
2.e Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
C1 C 0.2583(2) 0.10200(16) 0.43341(14) 0.0178(3) Uani 1 1 d . . . . .
C2 C 0.2414(2) 0.04898(17) 0.35517(16) 0.0227(4) Uani 1 1 d . . . . .
H2 H 0.224234 0.102159 0.273957 0.027 Uiso 1 1 calc R U . . .
C3 C 0.2508(2) -0.08477(18) 0.40177(17) 0.0265(4) Uani 1 1 d . . . . .
H3 H 0.240537 -0.124517 0.351078 0.032 Uiso 1 1 calc R U . . .
C4 C 0.2752(2) -0.16363(18) 0.52145(17) 0.0279(4) Uani 1 1 d . . . . .
H4 H 0.282912 -0.255268 0.549265 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2882(2) -0.11236(17) 0.60027(16) 0.0231(4) Uani 1 1 d . . . . .
H5 H 0.302049 -0.165958 0.681804 0.028 Uiso 1 1 calc R U . . .
C6 C 0.2799(2) 0.02281(16) 0.55316(14) 0.0179(3) Uani 1 1 d . . . . .
C7 C 0.2826(2) 0.22632(16) 0.52306(14) 0.0177(3) Uani 1 1 d . . . . .
H7 H 0.289307 0.300830 0.536336 0.021 Uiso 1 1 calc R U . . .
C8 C 0.3062(2) 0.06001(17) 0.73520(14) 0.0203(4) Uani 1 1 d . . . . .
H8 H 0.390255 -0.015255 0.765284 0.024 Uiso 1 1 calc R U . . .
C9 C 0.3637(2) 0.16682(19) 0.76066(16) 0.0272(4) Uani 1 1 d . . . . .
H9A H 0.277747 0.238131 0.738591 0.041 Uiso 1 1 calc R U . . .
H9B H 0.466509 0.198990 0.715092 0.041 Uiso 1 1 calc R U . . .
H9C H 0.383925 0.132412 0.844745 0.041 Uiso 1 1 calc R U . . .
C10 C 0.2373(2) 0.35197(16) 0.30862(14) 0.0196(4) Uani 1 1 d . . . . .
H10 H 0.255797 0.425296 0.327774 0.023 Uiso 1 1 calc R U . . .
C11 C 0.3652(2) 0.35728(18) 0.21318(15) 0.0255(4) Uani 1 1 d . . . . .
H11A H 0.345900 0.290127 0.188461 0.038 Uiso 1 1 calc R U . . .
H11B H 0.476969 0.342260 0.243971 0.038 Uiso 1 1 calc R U . . .
H11C H 0.355266 0.442874 0.145619 0.038 Uiso 1 1 calc R U . . .
C12 C 0.1388(2) 0.01376(18) 0.79589(15) 0.0253(4) Uani 1 1 d . . . . .
H12A H 0.149078 -0.023095 0.881304 0.038 Uiso 1 1 calc R U . . .
H12B H 0.103877 -0.052693 0.774984 0.038 Uiso 1 1 calc R U . . .
H12C H 0.056046 0.087352 0.770366 0.038 Uiso 1 1 calc R U . . .
C13 C 0.0588(2) 0.3695(2) 0.27028(18) 0.0343(5) Uani 1 1 d . . . . .
H13A H 0.042075 0.453443 0.201564 0.051 Uiso 1 1 calc R U . . .
H13B H -0.017309 0.366746 0.334758 0.051 Uiso 1 1 calc R U . . .
H13C H 0.036788 0.299558 0.249859 0.051 Uiso 1 1 calc R U . . .
C14 C 0.8183(2) 0.39974(16) 0.59909(15) 0.0184(3) Uani 1 1 d . . . . .
N1 N 0.29340(17) 0.10489(13) 0.60608(12) 0.0176(3) Uani 1 1 d . . . . .
N2 N 0.26086(17) 0.22966(13) 0.41805(12) 0.0176(3) Uani 1 1 d . . . . .
O1 O 0.96955(15) 0.36176(13) 0.64249(11) 0.0286(3) Uani 1 1 d . . . . .
H1 H 1.039118 0.411080 0.595233 0.043 Uiso 1 1 calc R U . . .
O2 O 0.70021(15) 0.34100(11) 0.66389(10) 0.0220(3) Uani 1 1 d . . . . .
O3 O 0.80434(14) 0.49262(11) 0.49705(10) 0.0215(3) Uani 1 1 d . . . . .
O4 O 0.77137(17) 0.17987(14) 0.88793(11) 0.0231(3) Uani 1 1 d G . . . .
H4A H 0.756063 0.231107 0.813982 0.035 Uiso 1 1 d G U . . .
O5 O 0.42575(16) 0.50614(12) 0.65251(11) 0.0246(3) Uani 1 1 d G . . . .
H5A H 0.357640 0.505054 0.602748 0.037 Uiso 1 1 d G U . . .
H5B H 0.511055 0.456061 0.649396 0.037 Uiso 1 1 d G U . . .
O6 O 0.29036(16) 0.43133(14) 0.87573(11) 0.0243(3) Uani 1 1 d G . . . .
H6A H 0.330154 0.452599 0.804561 0.036 Uiso 1 1 d G U . . .
O7 O 0.51701(16) 0.23492(13) 1.01691(11) 0.0246(3) Uani 1 1 d G . . . .
H7A H 0.593017 0.219536 0.972034 0.037 Uiso 1 1 d G U . . .
H7B H 0.451662 0.296582 0.968372 0.037 Uiso 1 1 d G U . . .
O8 O 0.25162(17) 0.06968(14) 0.09010(12) 0.0277(3) Uani 1 1 d G . . . .
H8B H 0.178774 0.129540 0.047729 0.042 Uiso 0.5 1 d G U P A 1
H8A H 0.345964 0.106008 0.068379 0.042 Uiso 1 1 d G U . . .
O9 O 1.02125(19) 0.27193(14) -0.02952(12) 0.0262(3) Uani 1 1 d G . . . .
H9AA H 0.958432 0.264547 -0.079091 0.039 Uiso 0.5 1 d G U P B 1
H9AB H 1.093701 0.326340 -0.073554 0.039 Uiso 0.5 1 d G U P C 1
O10 O 0.76109(17) 0.33763(15) 0.09804(12) 0.0284(3) Uani 1 1 d G . . . .
H10B H 0.847182 0.319100 0.061980 0.043 Uiso 0.5 1 d G U P D 1
H10A H 0.678211 0.308324 0.078711 0.043 Uiso 1 1 d G U . . .
H8C H 0.245(5) -0.001(5) 0.091(4) 0.026(11) Uiso 0.5 1 d . . P E 2
H4B H 0.761(6) 0.103(6) 0.896(4) 0.035(13) Uiso 0.5 1 d . . P F 1
H4C H 0.856(8) 0.202(6) 0.899(5) 0.054(18) Uiso 0.5 1 d . . P G 2
H9BC H 1.086(7) 0.211(6) 0.006(5) 0.050(16) Uiso 0.5 1 d . . P H 2
H10C H 0.749(6) 0.406(5) 0.098(4) 0.030(13) Uiso 0.5 1 d . . P I 2
H6B H 0.280(5) 0.500(5) 0.882(4) 0.020(10) Uiso 0.5 1 d . . P J 1
H6C H 0.203(10) 0.383(8) 0.897(7) 0.09(2) Uiso 0.5 1 d . . P K 2
H9BD H 0.950(11) 0.292(8) 0.001(7) 0.10(3) Uiso 0.5 1 d . . P L 2


_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
C1 C2 1.394(2) . ?
C1 C6 1.398(2) . ?
C1 N2 1.395(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.400(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(2) . ?
C6 N1 1.393(2) . ?
C7 H7 0.9500 . ?
C7 N1 1.326(2) . ?
C7 N2 1.338(2) . ?
C8 H8 1.0000 . ?
C8 C9 1.516(3) . ?
C8 C12 1.525(2) . ?
C8 N1 1.492(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.521(2) . ?
C10 C13 1.523(3) . ?
C10 N2 1.485(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 O1 1.333(2) . ?
C14 O2 1.248(2) . ?
C14 O3 1.268(2) . ?
O1 H1 0.8400 . ?
O4 H4A 0.8701 . ?
O4 H4B 0.86(6) . ?
O4 H4C 0.79(7) . ?
O5 H5A 0.8702 . ?
O5 H5B 0.8706 . ?
O6 H6A 0.8700 . ?
O6 H6B 0.82(5) . ?
O6 H6C 0.89(8) . ?
O7 H7A 0.8694 . ?
O7 H7B 0.8694 . ?
O8 H8B 0.8700 . ?
O8 H8A 0.8698 . ?
O8 H8C 0.82(6) . ?
O9 H9AA 0.8708 . ?
O9 H9AB 0.8695 . ?
O9 H9BC 0.81(6) . ?
O9 H9BD 0.75(9) . ?
O10 H10B 0.8699 . ?
O10 H10A 0.8699 . ?
O10 H10C 0.78(5) . ?

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 C1 C6 121.21(16) . . ?
C2 C1 N2 132.51(16) . . ?
N2 C1 C6 106.27(14) . . ?
C1 C2 H2 121.7 . . ?
C3 C2 C1 116.55(16) . . ?
C3 C2 H2 121.7 . . ?
C2 C3 H3 119.0 . . ?
C2 C3 C4 121.99(17) . . ?
C4 C3 H3 119.0 . . ?
C3 C4 H4 119.0 . . ?
C5 C4 C3 122.02(17) . . ?
C5 C4 H4 119.0 . . ?
C4 C5 H5 122.0 . . ?
C4 C5 C6 116.05(16) . . ?
C6 C5 H5 122.0 . . ?
C5 C6 C1 122.15(16) . . ?
N1 C6 C1 106.91(14) . . ?
N1 C6 C5 130.92(16) . . ?
N1 C7 H7 124.6 . . ?
N1 C7 N2 110.82(14) . . ?
N2 C7 H7 124.6 . . ?
C9 C8 H8 108.3 . . ?
C9 C8 C12 111.84(15) . . ?
C12 C8 H8 108.3 . . ?
N1 C8 H8 108.3 . . ?
N1 C8 C9 110.78(14) . . ?
N1 C8 C12 109.08(14) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10 107.3 . . ?
C11 C10 C13 113.35(15) . . ?
C13 C10 H10 107.3 . . ?
N2 C10 H10 107.3 . . ?
N2 C10 C11 111.28(14) . . ?
N2 C10 C13 109.99(14) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O2 C14 O1 116.64(15) . . ?
O2 C14 O3 124.93(16) . . ?
O3 C14 O1 118.42(15) . . ?
C6 N1 C8 124.37(14) . . ?
C7 N1 C6 108.01(13) . . ?
C7 N1 C8 127.50(14) . . ?
C1 N2 C10 128.50(14) . . ?
C7 N2 C1 107.98(13) . . ?
C7 N2 C10 123.48(14) . . ?
C14 O1 H1 109.5 . . ?
H4A O4 H4B 105.7 . . ?
H4A O4 H4C 102.8 . . ?
H5A O5 H5B 104.4 . . ?
H6A O6 H6B 104.9 . . ?
H6A O6 H6C 115.6 . . ?
H7A O7 H7B 104.6 . . ?
H8B O8 H8A 104.5 . . ?
H8A O8 H8C 118.2 . . ?
H9AA O9 H9AB 104.5 . . ?
H9BC O9 H9BD 122(7) . . ?
H10B O10 H10A 104.5 . . ?
H10A O10 H10C 118.3 . . ?

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
C1 C2 C3 C4 0.4(3) . . . . ?
C1 C6 N1 C7 -0.68(18) . . . . ?
C1 C6 N1 C8 175.63(14) . . . . ?
C2 C1 C6 C5 1.0(3) . . . . ?
C2 C1 C6 N1 179.73(15) . . . . ?
C2 C1 N2 C7 -179.23(18) . . . . ?
C2 C1 N2 C10 3.2(3) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C3 C4 C5 C6 -1.5(3) . . . . ?
C4 C5 C6 C1 0.5(3) . . . . ?
C4 C5 C6 N1 -177.89(17) . . . . ?
C5 C6 N1 C7 177.89(18) . . . . ?
C5 C6 N1 C8 -5.8(3) . . . . ?
C6 C1 C2 C3 -1.4(3) . . . . ?
C6 C1 N2 C7 -0.08(18) . . . . ?
C6 C1 N2 C10 -177.63(15) . . . . ?
C9 C8 N1 C6 165.19(15) . . . . ?
C9 C8 N1 C7 -19.2(2) . . . . ?
C11 C10 N2 C1 -58.5(2) . . . . ?
C11 C10 N2 C7 124.30(17) . . . . ?
C12 C8 N1 C6 -71.3(2) . . . . ?
C12 C8 N1 C7 104.30(19) . . . . ?
C13 C10 N2 C1 68.0(2) . . . . ?
C13 C10 N2 C7 -109.22(19) . . . . ?
N1 C7 N2 C1 -0.36(19) . . . . ?
N1 C7 N2 C10 177.35(14) . . . . ?
N2 C1 C2 C3 177.65(17) . . . . ?
N2 C1 C6 C5 -178.27(15) . . . . ?
N2 C1 C6 N1 0.46(18) . . . . ?
N2 C7 N1 C6 0.66(19) . . . . ?
N2 C7 N1 C8 -175.51(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
