# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_msm_mb_237r_auto
_database_code_depnum_ccdc_archive 'CCDC 2268782'
loop_
_audit_author_name
_audit_author_address
'KAKOLI MAJI'
;INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH KOLKATA
India
;
_audit_update_record             
;
2023-06-09 deposited with the CCDC.	2023-07-13 downloaded from the CCDC.
;
_audit_creation_date             2023-05-29
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H25 N O3'
_chemical_formula_sum            'C19 H25 N O3'
_chemical_formula_weight         315.40
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O'
_chemical_oxdiff_usercomment     100K
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.13080(10)
_cell_length_b                   11.62940(10)
_cell_length_c                   25.4879(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1817.22(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15675
_cell_measurement_temperature    100.3(9)
_cell_measurement_theta_max      67.9410
_cell_measurement_theta_min      3.4620
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.747
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.73a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            21967
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.990
_diffrn_reflns_theta_min         3.468
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.3(9)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -108.00 -23.00   0.50    0.30    --  -40.58 -44.00-137.00  170
  2  ω    -78.00   4.00   0.50    0.30    --  -40.58 104.00-126.00  164
  3  ω    -50.00  27.00   0.50    0.30    --  -40.58  44.00  12.00  154
  4  ω    -22.00  70.00   0.50    0.30    --   40.58 -83.00  23.00  184
  5  ω    -25.00  50.00   0.50    0.30    --   40.58 -44.00-137.00  150
  6  ω     18.00  78.00   0.50    0.30    --   40.58-104.00 132.00  120
  7  ω     23.00 108.00   0.50    0.30    --   40.58  44.00  12.00  170
  8  ω   -153.00 -83.00   0.50    1.90    --  -82.50-104.00 132.00  140
  9  ω   -152.00 -78.00   0.50    1.90    --  -82.50 -83.00  23.00  148
 10  ω   -150.00 -65.00   0.50    1.90    --  -82.50 -44.00-137.00  170
 11  ω    -82.00 -12.00   0.50    1.90    --  -82.50 104.00-126.00  140
 12  ω     26.00 108.00   0.50    1.90    --   96.35-104.00 132.00  164
 13  ω     27.00 125.00   0.50    1.90    --   96.35 -83.00  23.00  196
 14  ω    105.00 167.00   0.50    1.90    --   96.35 104.00-126.00  124
 15  ω     79.00 164.00   0.50    1.90    --   96.35  44.00  12.00  170
 16  ω   -108.00 -17.00   0.50    0.30    --  -40.58 -64.00  60.00  182
 17  ω    -69.00  29.00   0.50    0.30    --  -40.58  83.00 143.00  196
 18  ω   -111.00 -13.00   0.50    1.90    --  -82.50  83.00 143.00  196
 19  ω    -47.00 -15.00   0.50    1.90    --  -82.50  42.00 -90.00   64
 20  ω     29.00  83.00   0.50    1.90    --   96.35 -68.00 -60.00  108
 21  ω     28.00  68.00   0.50    1.90    --   96.35 -59.00-120.00   80
 22  ω     30.00  57.00   0.50    1.90    --   96.35 -50.00 150.00   54
 23  ω    105.00 170.00   0.50    1.90    --   96.35  96.00-150.00  130
 24  ω     30.00  57.00   0.50    1.90    --   96.35 -50.00 120.00   54
 25  ω     83.00 164.00   0.50    1.90    --   96.35  33.00 -90.00  162
 26  ω     30.00  57.00   0.50    1.90    --   96.35 -50.00   0.00   54
 27  ω     28.00  68.00   0.50    1.90    --   96.35 -59.00  90.00   80
 28  ω     30.00  57.00   0.50    1.90    --   96.35 -50.00-180.00   54
 29  ω   -109.00 -14.00   0.50    0.30    --  -40.58 -77.00 -60.00  190
 30  ω   -109.00 -14.00   0.50    0.30    --  -40.58 -77.00   0.00  190
 31  ω   -109.00 -14.00   0.50    0.30    --  -40.58 -77.00-150.00  190
 32  ω   -108.00 -17.00   0.50    0.30    --  -40.58 -64.00 150.00  182
 33  ω   -109.00 -14.00   0.50    0.30    --  -40.58 -77.00  90.00  190
 34  ω   -109.00 -14.00   0.50    0.30    --  -40.58 -77.00 150.00  190
 35  ω    -29.00  31.00   0.50    0.30    --   40.58 -25.00   0.00  120
 36  ω     14.00 109.00   0.50    0.30    --   40.58  77.00  90.00  190
 37  ω     70.00 165.00   0.50    1.90    --   96.35  77.00-180.00  190
 38  ω     33.00 110.00   0.50    1.90    --   96.35-117.00 -30.00  154
 39  ω     75.00 165.00   0.50    1.90    --   96.35  59.00 -60.00  180
 40  ω     72.00 164.00   0.50    1.90    --   96.35  68.00 150.00  184
 41  ω     77.00 163.00   0.50    1.90    --   96.35  50.00  60.00  172
 42  ω     72.00 164.00   0.50    1.90    --   96.35  68.00 -30.00  184
 43  ω     77.00 163.00   0.50    1.90    --   96.35  50.00 120.00  172
 44  ω     29.00  76.00   0.50    1.90    --   96.35 -68.00 150.00   94
 45  ω     75.00 165.00   0.50    1.90    --   96.35  59.00  90.00  180
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0647245000
_diffrn_orient_matrix_UB_12      -0.1274238000
_diffrn_orient_matrix_UB_13      0.0056287000
_diffrn_orient_matrix_UB_21      -0.1235593000
_diffrn_orient_matrix_UB_22      -0.0063205000
_diffrn_orient_matrix_UB_23      0.0525550000
_diffrn_orient_matrix_UB_31      -0.2089881000
_diffrn_orient_matrix_UB_32      -0.0357344000
_diffrn_orient_matrix_UB_33      -0.0293118000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.704
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                3197
_reflns_number_total             3309
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_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         0.282
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.045
_refine_ls_abs_structure_details 
;
 Flack x determined using 1285 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         3309
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0424
_refine_ls_restrained_S_all      1.022
_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)+(0.0429P)²+1.0458P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1055
_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
2. Uiso/Uaniso restraints and constraints
Uanis(C17) = Uanis(C16) = Uanis(C18) = Uanis(C19)
3.a Ternary CH refined with riding coordinates:
 C7(H7), C14(H14), C5(H5)
3.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C6(H6A,H6B), C3(H3A,H3B)
3.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C11(H11), C9(H9), C10(H10)
3.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C1(H1A,H1B,H1C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_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 1.2719(3) 0.61935(17) 0.33420(7) 0.0292(4) Uani 1 1 d . . . . .
O2 O 0.9521(3) 0.55413(17) 0.29979(7) 0.0303(4) Uani 1 1 d . . . . .
N1 N 0.9682(3) 0.60022(18) 0.38467(8) 0.0218(5) Uani 1 1 d . . . . .
O3 O 0.5423(4) 0.21838(18) 0.44939(11) 0.0502(6) Uani 1 1 d . . . . .
C15 C 1.0801(4) 0.5952(2) 0.33831(10) 0.0237(5) Uani 1 1 d . . . . .
C12 C 0.5609(4) 0.8310(2) 0.37930(9) 0.0232(5) Uani 1 1 d . . . . .
H12 H 0.427462 0.807075 0.363795 0.028 Uiso 1 1 calc R . . . .
C13 C 0.7226(4) 0.7521(2) 0.39149(9) 0.0204(5) Uani 1 1 d . . . . .
C8 C 0.9184(4) 0.7873(2) 0.41470(9) 0.0217(5) Uani 1 1 d . . . . .
C11 C 0.6002(4) 0.9465(2) 0.39050(10) 0.0253(5) Uani 1 1 d . . . . .
H11 H 0.492291 1.002214 0.382204 0.030 Uiso 1 1 calc R . . . .
C7 C 1.0419(4) 0.6771(2) 0.42745(9) 0.0225(5) Uani 1 1 d . . . . .
H7 H 1.203337 0.684914 0.431858 0.027 Uiso 1 1 calc R . . . .
C9 C 0.9563(4) 0.9016(2) 0.42589(9) 0.0236(5) Uani 1 1 d . . . . .
H9 H 1.089451 0.925331 0.441609 0.028 Uiso 1 1 calc R . . . .
C14 C 0.7302(4) 0.6214(2) 0.38990(9) 0.0213(5) Uani 1 1 d . . . . .
H14 H 0.635114 0.583653 0.363076 0.026 Uiso 1 1 calc R . . . .
C10 C 0.7948(4) 0.9816(2) 0.41361(10) 0.0259(6) Uani 1 1 d . . . . .
H10 H 0.817741 1.060669 0.421086 0.031 Uiso 1 1 calc R . . . .
C5 C 0.6989(4) 0.5802(2) 0.44757(9) 0.0225(5) Uani 1 1 d . . . . .
H5 H 0.573385 0.621694 0.463994 0.027 Uiso 1 1 calc R . . . .
C4 C 0.6647(4) 0.4507(2) 0.45166(11) 0.0264(6) Uani 1 1 d . . . . .
H4A H 0.775278 0.411227 0.429822 0.032 Uiso 1 1 calc R . . . .
H4B H 0.687554 0.426570 0.488508 0.032 Uiso 1 1 calc R . . . .
C6 C 0.9177(4) 0.6196(2) 0.47358(9) 0.0245(5) Uani 1 1 d . . . . .
H6A H 0.890744 0.675069 0.502310 0.029 Uiso 1 1 calc R . . . .
H6B H 0.999848 0.553041 0.487619 0.029 Uiso 1 1 calc R . . . .
C2 C 0.4039(5) 0.2845(2) 0.43378(11) 0.0326(6) Uani 1 1 d . . . . .
C16 C 1.0501(5) 0.5229(3) 0.24874(11) 0.0388(4) Uani 1 1 d . . . . .
C3 C 0.4385(5) 0.4128(2) 0.43416(12) 0.0308(6) Uani 1 1 d . . . . .
H3A H 0.329121 0.448114 0.457768 0.037 Uiso 1 1 calc R . . . .
H3B H 0.411764 0.442772 0.398377 0.037 Uiso 1 1 calc R . . . .
C19 C 1.2210(5) 0.4303(3) 0.25681(11) 0.0388(4) Uani 1 1 d . . . . .
H19A H 1.351467 0.464263 0.272730 0.058 Uiso 1 1 calc GR . . . .
H19B H 1.259297 0.396130 0.222887 0.058 Uiso 1 1 calc GR . . . .
H19C H 1.162747 0.370552 0.280042 0.058 Uiso 1 1 calc GR . . . .
C1 C 0.1858(5) 0.2430(3) 0.41464(13) 0.0407(7) Uani 1 1 d . . . . .
H1A H 0.193727 0.160400 0.407204 0.061 Uiso 1 1 calc GR . . . .
H1B H 0.146148 0.284451 0.382554 0.061 Uiso 1 1 calc GR . . . .
H1C H 0.075277 0.256998 0.441671 0.061 Uiso 1 1 calc GR . . . .
C17 C 1.1410(5) 0.6285(3) 0.22194(11) 0.0388(4) Uani 1 1 d . . . . .
H17A H 1.028954 0.688554 0.220872 0.058 Uiso 1 1 calc GR . . . .
H17B H 1.184923 0.608801 0.186077 0.058 Uiso 1 1 calc GR . . . .
H17C H 1.267914 0.656516 0.241484 0.058 Uiso 1 1 calc GR . . . .
C18 C 0.8569(5) 0.4741(3) 0.21917(11) 0.0388(4) Uani 1 1 d . . . . .
H18A H 0.793539 0.410470 0.239236 0.058 Uiso 1 1 calc GR . . . .
H18B H 0.905228 0.445936 0.184842 0.058 Uiso 1 1 calc GR . . . .
H18C H 0.746970 0.534332 0.214278 0.058 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 C15 1.213(3) . ?
O2 C15 1.345(3) . ?
O2 C16 1.478(3) . ?
N1 C15 1.368(3) . ?
N1 C7 1.481(3) . ?
N1 C14 1.486(3) . ?
O3 C2 1.212(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.386(4) . ?
C12 C11 1.394(4) . ?
C13 C8 1.399(3) . ?
C13 C14 1.521(3) . ?
C8 C7 1.523(4) . ?
C8 C9 1.380(4) . ?
C11 H11 0.9500 . ?
C11 C10 1.392(4) . ?
C7 H7 1.0000 . ?
C7 C6 1.553(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.394(4) . ?
C14 H14 1.0000 . ?
C14 C5 1.558(3) . ?
C10 H10 0.9500 . ?
C5 H5 1.0000 . ?
C5 C4 1.525(3) . ?
C5 C6 1.564(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C3 1.522(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C2 C3 1.507(4) . ?
C2 C1 1.503(4) . ?
C16 C19 1.517(5) . ?
C16 C17 1.511(5) . ?
C16 C18 1.514(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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
C15 O2 C16 119.5(2) . . ?
C15 N1 C7 120.6(2) . . ?
C15 N1 C14 125.3(2) . . ?
C7 N1 C14 97.69(19) . . ?
O1 C15 O2 125.8(2) . . ?
O1 C15 N1 123.4(2) . . ?
O2 C15 N1 110.7(2) . . ?
C13 C12 H12 121.0 . . ?
C13 C12 C11 117.9(2) . . ?
C11 C12 H12 121.0 . . ?
C12 C13 C8 121.0(2) . . ?
C12 C13 C14 132.6(2) . . ?
C8 C13 C14 106.1(2) . . ?
C13 C8 C7 105.7(2) . . ?
C9 C8 C13 120.9(2) . . ?
C9 C8 C7 133.1(2) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 C12 121.1(2) . . ?
C10 C11 H11 119.4 . . ?
N1 C7 C8 101.48(19) . . ?
N1 C7 H7 116.1 . . ?
N1 C7 C6 98.49(19) . . ?
C8 C7 H7 116.1 . . ?
C8 C7 C6 106.3(2) . . ?
C6 C7 H7 116.1 . . ?
C8 C9 H9 120.8 . . ?
C8 C9 C10 118.5(2) . . ?
C10 C9 H9 120.8 . . ?
N1 C14 C13 101.4(2) . . ?
N1 C14 H14 116.0 . . ?
N1 C14 C5 98.90(19) . . ?
C13 C14 H14 116.0 . . ?
C13 C14 C5 106.13(19) . . ?
C5 C14 H14 116.0 . . ?
C11 C10 C9 120.6(2) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C14 C5 H5 110.0 . . ?
C14 C5 C6 101.80(19) . . ?
C4 C5 C14 112.6(2) . . ?
C4 C5 H5 110.0 . . ?
C4 C5 C6 112.2(2) . . ?
C6 C5 H5 110.0 . . ?
C5 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C3 C4 C5 113.0(2) . . ?
C3 C4 H4A 109.0 . . ?
C3 C4 H4B 109.0 . . ?
C7 C6 C5 103.04(19) . . ?
C7 C6 H6A 111.2 . . ?
C7 C6 H6B 111.2 . . ?
C5 C6 H6A 111.2 . . ?
C5 C6 H6B 111.2 . . ?
H6A C6 H6B 109.1 . . ?
O3 C2 C3 121.9(3) . . ?
O3 C2 C1 121.7(3) . . ?
C1 C2 C3 116.4(3) . . ?
O2 C16 C19 109.6(2) . . ?
O2 C16 C17 110.4(2) . . ?
O2 C16 C18 102.3(2) . . ?
C17 C16 C19 112.6(3) . . ?
C17 C16 C18 111.6(3) . . ?
C18 C16 C19 110.0(3) . . ?
C4 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
C2 C3 C4 114.6(2) . . ?
C2 C3 H3A 108.6 . . ?
C2 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.518
_oxdiff_exptl_absorpt_empirical_full_min 0.354
