# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_20231003-Maryse
_database_code_depnum_ccdc_archive 'CCDC 2334215'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;CNRS
France
;
_audit_update_record             
;
2024-02-21 deposited with the CCDC.	2024-04-18 downloaded from the CCDC.
;


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C18 H23 N2 O3'
_chemical_formula_sum            'C18 H23 N2 O3'
_chemical_formula_weight         315.38

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2975(3)
_cell_length_b                   10.1675(3)
_cell_length_c                   10.6317(2)
_cell_angle_alpha                73.401(2)
_cell_angle_beta                 64.496(3)
_cell_angle_gamma                69.395(3)
_cell_volume                     838.30(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18351
_cell_measurement_theta_min      4.6570
_cell_measurement_theta_max      79.5710

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             338

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.69
_exptl_absorpt_correction_T_min  0.92215
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.102a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            HyPix
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_number            14347
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         4.667
_diffrn_reflns_theta_max         80
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_reflns_Friedel_coverage         0
_reflns_number_total             3564
_reflns_number_gt                3361
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0518P)²+0.3313P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.0117(10)
_refine_ls_number_reflns         3564
_refine_ls_number_parameters     318
_refine_ls_number_restraints     338
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0415
_refine_ls_wR_factor_ref         0.1093
_refine_ls_wR_factor_gt          0.1077
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      0.991
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.043

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 '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_
_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 0.83580(18) 0.56699(18) 0.80433(15) 0.0424(4) Uani 1 1 d . . . . .
H1A H 0.910384 0.564205 0.84845 0.064 Uiso 1 1 calc R U . . .
H1B H 0.832367 0.469931 0.81093 0.064 Uiso 1 1 calc R U . . .
H1C H 0.724562 0.623716 0.853112 0.064 Uiso 1 1 calc R U . . .
C2 C 0.89651(15) 0.63228(13) 0.65363(14) 0.0308(3) Uani 1 1 d . . . . .
C3 C 1.01741(15) 0.70174(14) 0.57429(17) 0.0359(3) Uani 1 1 d . . . . .
H3 H 1.089329 0.717715 0.60695 0.043 Uiso 1 1 calc R U . . .
C4 C 1.01719(15) 0.74589(13) 0.43496(16) 0.0343(3) Uani 1 1 d . . . . .
H4 H 1.089434 0.79564 0.35842 0.041 Uiso 1 1 calc R U . . .
C5 C 0.89514(14) 0.70448(12) 0.42992(14) 0.0273(3) Uani 1 1 d . . . . .
C6 C 0.83235(16) 0.72692(15) 0.31685(15) 0.0349(3) Uani 1 1 d . . . . .
H6A H 0.89933 0.777056 0.229928 0.052 Uiso 1 1 calc R U . . .
H6B H 0.717045 0.783931 0.345652 0.052 Uiso 1 1 calc R U . . .
H6C H 0.839112 0.634622 0.300123 0.052 Uiso 1 1 calc R U . . .
C7 C 0.54166(14) 0.62886(12) 0.66982(12) 0.0247(2) Uani 1 1 d . . . . .
C8 C 0.42211(14) 0.54879(12) 0.68716(12) 0.0250(3) Uani 1 1 d . . . . .
H8A H 0.347783 0.537791 0.787543 0.03 Uiso 1 1 calc R U . . .
H8B H 0.352944 0.607147 0.631112 0.03 Uiso 1 1 calc R U . . .
N1 N 0.82312(12) 0.63543(10) 0.56385(11) 0.0243(2) Uani 1 1 d . . . . .
N2 N 0.70222(11) 0.56851(10) 0.59802(10) 0.0223(2) Uani 1 1 d . . . . .
O1 O 0.49170(11) 0.74003(11) 0.71543(12) 0.0396(3) Uani 1 1 d . . . . .
O2 O 0.49760(10) 0.41207(8) 0.64552(8) 0.0231(2) Uani 1 1 d D . . . .
C9 C 0.554(2) 0.2906(7) 0.7319(12) 0.0203(12) Uani 0.461(4) 1 d D U P A 1
C10 C 0.5618(11) 0.2925(5) 0.8583(7) 0.0262(11) Uani 0.461(4) 1 d D U P A 1
H10 H 0.521283 0.380043 0.893019 0.031 Uiso 0.461(4) 1 calc R U P A 1
C11 C 0.6281(7) 0.1676(5) 0.9363(5) 0.0234(9) Uani 0.461(4) 1 d D U P A 1
H11 H 0.632129 0.171414 1.022972 0.028 Uiso 0.461(4) 1 calc R U P A 1
C12 C 0.6873(5) 0.0398(5) 0.8881(5) 0.0200(9) Uani 0.461(4) 1 d D U P A 1
C13 C 0.6816(7) 0.0367(5) 0.7595(5) 0.0198(9) Uani 0.461(4) 1 d D U P A 1
H13 H 0.722846 -0.051033 0.725104 0.024 Uiso 0.461(4) 1 calc R U P A 1
C14 C 0.6162(13) 0.1609(6) 0.6810(7) 0.0178(10) Uani 0.461(4) 1 d D U P A 1
O3 O 0.6142(12) 0.1676(7) 0.5518(6) 0.0230(11) Uani 0.461(4) 1 d D U P A 1
C15 C 0.6992(6) 0.0411(5) 0.4884(5) 0.0302(9) Uani 0.461(4) 1 d D U P A 1
H15A H 0.81543 0.013239 0.477995 0.045 Uiso 0.461(4) 1 calc R U P A 1
H15B H 0.69217 0.059463 0.395247 0.045 Uiso 0.461(4) 1 calc R U P A 1
H15C H 0.648011 -0.035774 0.548411 0.045 Uiso 0.461(4) 1 calc R U P A 1
C16 C 0.7563(4) -0.0956(4) 0.9736(4) 0.0288(7) Uani 0.461(4) 1 d D U P A 1
H16A H 0.72437 -0.075552 1.069257 0.035 Uiso 0.461(4) 1 calc R U P A 1
H16B H 0.701211 -0.167731 0.984098 0.035 Uiso 0.461(4) 1 calc R U P A 1
C17 C 0.9374(4) -0.1603(4) 0.9187(3) 0.0288(7) Uani 0.461(4) 1 d D U P A 1
H17A H 0.971322 -0.182931 1.000545 0.035 Uiso 0.461(4) 1 calc R U P A 1
H17B H 0.951959 -0.252914 0.895548 0.035 Uiso 0.461(4) 1 calc R U P A 1
C18 C 1.0500(4) -0.1051(3) 0.8132(3) 0.0381(9) Uani 0.461(4) 1 d D U P A 1
H18A H 1.018563 -0.013406 0.762456 0.046 Uiso 0.461(4) 1 calc R U P A 1
H18B H 1.163105 -0.156747 0.787348 0.046 Uiso 0.461(4) 1 calc R U P A 1
C9' C 0.549(2) 0.3090(6) 0.7453(10) 0.0212(11) Uani 0.539(4) 1 d D U P A 2
C10' C 0.5517(9) 0.3297(5) 0.8664(5) 0.0218(9) Uani 0.539(4) 1 d D U P A 2
H10' H 0.511315 0.422506 0.890361 0.026 Uiso 0.539(4) 1 calc R U P A 2
C11' C 0.6136(6) 0.2135(5) 0.9543(4) 0.0258(8) Uani 0.539(4) 1 d D U P A 2
H11' H 0.615182 0.227503 1.038262 0.031 Uiso 0.539(4) 1 calc R U P A 2
C12' C 0.6725(4) 0.0787(5) 0.9195(4) 0.0226(8) Uani 0.539(4) 1 d D U P A 2
C13' C 0.6673(6) 0.0576(4) 0.7982(5) 0.0235(9) Uani 0.539(4) 1 d D U P A 2
H13' H 0.705575 -0.035647 0.775452 0.028 Uiso 0.539(4) 1 calc R U P A 2
C14' C 0.6062(12) 0.1724(6) 0.7100(6) 0.0232(10) Uani 0.539(4) 1 d D U P A 2
O3' O 0.5965(10) 0.1651(6) 0.5875(5) 0.0231(9) Uani 0.539(4) 1 d D U P A 2
C15' C 0.6584(6) 0.0273(4) 0.5457(5) 0.0377(9) Uani 0.539(4) 1 d D U P A 2
H15D H 0.775566 -0.010249 0.532865 0.057 Uiso 0.539(4) 1 calc R U P A 2
H15E H 0.645649 0.035351 0.456789 0.057 Uiso 0.539(4) 1 calc R U P A 2
H15F H 0.596138 -0.037316 0.619048 0.057 Uiso 0.539(4) 1 calc R U P A 2
C16' C 0.7494(3) -0.0466(4) 1.0097(4) 0.0356(7) Uani 0.539(4) 1 d D . P A 2
H16C H 0.716979 -0.021576 1.103374 0.043 Uiso 0.539(4) 1 calc R U P A 2
H16D H 0.708025 -0.129192 1.023954 0.043 Uiso 0.539(4) 1 calc R U P A 2
C17' C 0.9356(3) -0.0860(4) 0.9392(3) 0.0414(8) Uani 0.539(4) 1 d D . P A 2
H17C H 0.95994 -0.0264 0.844716 0.05 Uiso 0.539(4) 1 calc R U P A 2
H17D H 0.975646 -0.050887 0.992615 0.05 Uiso 0.539(4) 1 calc R U P A 2
C18' C 1.0332(5) -0.2132(4) 0.9186(3) 0.0487(9) Uani 0.539(4) 1 d D . P A 2
H18C H 0.988058 -0.292535 0.949392 0.058 Uiso 0.539(4) 1 calc R U P A 2
H18D H 1.149273 -0.2264 0.872929 0.058 Uiso 0.539(4) 1 calc R U P A 2
H2 H 0.735(2) 0.4852(18) 0.5725(17) 0.033(4) Uiso 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 1.485(2) . ?
C1 H1A 0.98 . ?
C1 H1B 0.98 . ?
C1 H1C 0.98 . ?
C2 C3 1.3696(19) . ?
C2 N1 1.3805(16) . ?
C3 C4 1.421(2) . ?
C3 H3 0.95 . ?
C4 C5 1.3672(17) . ?
C4 H4 0.95 . ?
C5 N1 1.3810(16) . ?
C5 C6 1.4805(19) . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 O1 1.2158(14) . ?
C7 N2 1.3525(14) . ?
C7 C8 1.5189(16) . ?
C8 O2 1.4207(13) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
N1 N2 1.3798(13) . ?
N2 H2 0.873(17) . ?
O2 C9' 1.381(4) . ?
O2 C9 1.400(5) . ?
C9 C10 1.381(5) . ?
C9 C14 1.403(6) . ?
C10 C11 1.403(5) . ?
C10 H10 0.95 . ?
C11 C12 1.375(5) . ?
C11 H11 0.95 . ?
C12 C13 1.399(4) . ?
C12 C16 1.516(5) . ?
C13 C14 1.398(5) . ?
C13 H13 0.95 . ?
C14 O3 1.364(5) . ?
O3 C15 1.434(5) . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 C17 1.484(4) . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 C18 1.308(4) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.95 . ?
C18 H18B 0.95 . ?
C9' C10' 1.372(5) . ?
C9' C14' 1.399(5) . ?
C10' C11' 1.398(4) . ?
C10' H10' 0.95 . ?
C11' C12' 1.380(4) . ?
C11' H11' 0.95 . ?
C12' C13' 1.390(5) . ?
C12' C16' 1.518(4) . ?
C13' C14' 1.390(5) . ?
C13' H13' 0.95 . ?
C14' O3' 1.368(5) . ?
O3' C15' 1.435(5) . ?
C15' H15D 0.98 . ?
C15' H15E 0.98 . ?
C15' H15F 0.98 . ?
C16' C17' 1.512(4) . ?
C16' H16C 0.99 . ?
C16' H16D 0.99 . ?
C17' C18' 1.308(4) . ?
C17' H17C 0.99 . ?
C17' H17D 0.99 . ?
C18' H18C 0.95 . ?
C18' H18D 0.95 . ?

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 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 N1 105.67(12) . . ?
C3 C2 C1 133.29(12) . . ?
N1 C2 C1 121.00(12) . . ?
C2 C3 C4 108.52(11) . . ?
C2 C3 H3 125.7 . . ?
C4 C3 H3 125.7 . . ?
C5 C4 C3 108.27(12) . . ?
C5 C4 H4 125.9 . . ?
C3 C4 H4 125.9 . . ?
C4 C5 N1 105.93(12) . . ?
C4 C5 C6 132.52(12) . . ?
N1 C5 C6 121.48(10) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O1 C7 N2 124.45(11) . . ?
O1 C7 C8 120.81(10) . . ?
N2 C7 C8 114.72(9) . . ?
O2 C8 C7 114.94(9) . . ?
O2 C8 H8A 108.5 . . ?
C7 C8 H8A 108.5 . . ?
O2 C8 H8B 108.5 . . ?
C7 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
N2 N1 C2 125.02(10) . . ?
N2 N1 C5 123.16(10) . . ?
C2 N1 C5 111.61(10) . . ?
C7 N2 N1 121.13(9) . . ?
C7 N2 H2 122.4(11) . . ?
N1 N2 H2 116.5(10) . . ?
C9' O2 C8 113.1(2) . . ?
C9 O2 C8 123.1(3) . . ?
C10 C9 O2 124.1(5) . . ?
C10 C9 C14 118.8(4) . . ?
O2 C9 C14 117.0(5) . . ?
C9 C10 C11 121.2(4) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C12 C11 C10 120.4(4) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 118.9(3) . . ?
C11 C12 C16 120.4(4) . . ?
C13 C12 C16 120.7(4) . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
O3 C14 C13 124.3(5) . . ?
O3 C14 C9 115.9(4) . . ?
C13 C14 C9 119.7(5) . . ?
C14 O3 C15 116.8(5) . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C12 117.7(3) . . ?
C17 C16 H16A 107.9 . . ?
C12 C16 H16A 107.9 . . ?
C17 C16 H16B 107.9 . . ?
C12 C16 H16B 107.9 . . ?
H16A C16 H16B 107.2 . . ?
C18 C17 C16 127.4(3) . . ?
C18 C17 H17A 105.5 . . ?
C16 C17 H17A 105.5 . . ?
C18 C17 H17B 105.5 . . ?
C16 C17 H17B 105.5 . . ?
H17A C17 H17B 106 . . ?
C17 C18 H18A 120 . . ?
C17 C18 H18B 120 . . ?
H18A C18 H18B 120 . . ?
C10' C9' O2 126.9(4) . . ?
C10' C9' C14' 120.7(4) . . ?
O2 C9' C14' 112.4(4) . . ?
C9' C10' C11' 119.7(4) . . ?
C9' C10' H10' 120.2 . . ?
C11' C10' H10' 120.2 . . ?
C12' C11' C10' 120.2(3) . . ?
C12' C11' H11' 119.9 . . ?
C10' C11' H11' 119.9 . . ?
C11' C12' C13' 120.0(3) . . ?
C11' C12' C16' 120.5(3) . . ?
C13' C12' C16' 119.4(4) . . ?
C14' C13' C12' 120.2(4) . . ?
C14' C13' H13' 119.9 . . ?
C12' C13' H13' 119.9 . . ?
O3' C14' C13' 125.4(4) . . ?
O3' C14' C9' 115.3(4) . . ?
C13' C14' C9' 119.3(4) . . ?
C14' O3' C15' 116.8(4) . . ?
O3' C15' H15D 109.5 . . ?
O3' C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
O3' C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
C17' C16' C12' 110.4(2) . . ?
C17' C16' H16C 109.6 . . ?
C12' C16' H16C 109.6 . . ?
C17' C16' H16D 109.6 . . ?
C12' C16' H16D 109.6 . . ?
H16C C16' H16D 108.1 . . ?
C18' C17' C16' 126.8(3) . . ?
C18' C17' H17C 105.6 . . ?
C16' C17' H17C 105.6 . . ?
C18' C17' H17D 105.6 . . ?
C16' C17' H17D 105.6 . . ?
H17C C17' H17D 106.1 . . ?
C17' C18' H18C 120 . . ?
C17' C18' H18D 120 . . ?
H18C C18' H18D 120 . . ?

