# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_db
_audit_block_doi                 10.5517/ccdc.csd.cc2frhxm
_database_code_depnum_ccdc_archive 'CCDC 2256921'
loop_
_audit_author_name
_audit_author_address
"UnivERSITE  d'Annaba"
;LCOA
Algeria
;
_audit_update_record             
;
2023-04-27 deposited with the CCDC.	2023-09-03 downloaded from the CCDC.
;
_audit_creation_date             2022-06-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H19 N O3'
_chemical_formula_sum            'C18 H19 N O3'
_chemical_formula_weight         297.34
_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      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                   6.4370(3)
_cell_length_b                   10.9513(4)
_cell_length_c                   11.3400(6)
_cell_angle_alpha                102.588(4)
_cell_angle_beta                 102.906(4)
_cell_angle_gamma                91.799(3)
_cell_volume                     757.77(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5848
_cell_measurement_temperature    295
_cell_measurement_theta_max      31.3890
_cell_measurement_theta_min      2.9990
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.51a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.898
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19501
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.898
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.343
_diffrn_reflns_theta_min         2.360
_diffrn_ambient_temperature      295
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3048
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -57.00  11.00   1.00   25.00    --  -19.88  90.00  26.00   68
  2  ω    -23.00  12.00   1.00   25.00    --  -19.88 -90.00 -88.00   35
  3  ω    -32.00  57.00   1.00   25.00    --   20.34 -90.00 -88.00   89
  4  ω    -90.00   4.00   1.00   25.00    --  -19.88 -38.00  90.00   94
  5  ω    -93.00   5.00   1.00   25.00    --  -19.88 -57.00   0.00   98
  6  ω    -44.00  -4.00   1.00   25.00    --  -19.88  38.00 150.00   40
  7  ω      8.00  54.00   1.00   25.00    --  -19.88  38.00 150.00   46
  8  ω    -94.00  -2.00   1.00   25.00    --  -19.88 -38.00-150.00   92
  9  ω     36.00 106.00   1.00   25.00    --   20.34-178.00  60.00   70
 10  ω     -8.00  81.00   1.00   25.00    --   20.34  57.00-120.00   89
 11  ω     35.00  74.00   1.00   25.00    --   20.34 178.00 -90.00   39
 12  ω     -4.00  74.00   1.00   25.00    --   22.00-118.00-174.02   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0369776000
_diffrn_orient_matrix_UB_12      0.0313510000
_diffrn_orient_matrix_UB_13      0.0520987000
_diffrn_orient_matrix_UB_21      -0.0286316000
_diffrn_orient_matrix_UB_22      0.0498129000
_diffrn_orient_matrix_UB_23      -0.0296412000
_diffrn_orient_matrix_UB_31      -0.1033613000
_diffrn_orient_matrix_UB_32      -0.0311670000
_diffrn_orient_matrix_UB_33      -0.0275092000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3672
_reflns_number_total             5272
_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 1.171.42.51a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.51a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.51a (Rigaku OD, 2022)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.236
_refine_diff_density_min         -0.166
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         5272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.043
_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)+(0.0579P)²+0.1794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1414
_refine_ls_wR_factor_ref         0.1579
_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.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C4(H4A,H4B), C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16)
2.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_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 0.36994(19) 0.09111(11) 1.06591(10) 0.0580(3) Uani 1 1 d . . . . .
O2 O 0.72101(18) 0.22751(11) 1.11394(10) 0.0587(3) Uani 1 1 d . . . . .
H2 H 0.635214 0.173788 1.120321 0.088 Uiso 1 1 calc R U . . .
O3 O 0.75393(19) 0.51039(12) 0.86161(12) 0.0702(4) Uani 1 1 d . . . . .
N1 N 0.44627(17) 0.38408(9) 0.82495(9) 0.0372(2) Uani 1 1 d . . . . .
C1 C 0.33434(19) 0.28959(11) 0.84959(10) 0.0341(2) Uani 1 1 d . . . . .
C2 C 0.11222(19) 0.24781(12) 0.77143(12) 0.0407(3) Uani 1 1 d . . . . .
H2A H 0.105206 0.258544 0.687993 0.049 Uiso 1 1 calc R U . . .
H2B H 0.012560 0.301324 0.805606 0.049 Uiso 1 1 calc R U . . .
C3 C 0.0424(2) 0.11083(13) 0.76407(12) 0.0426(3) Uani 1 1 d . . . . .
C4 C 0.0789(2) 0.09166(14) 0.89621(14) 0.0492(3) Uani 1 1 d . . . . .
H4A H -0.024822 0.135608 0.935998 0.059 Uiso 1 1 calc R U . . .
H4B H 0.052800 0.002926 0.892028 0.059 Uiso 1 1 calc R U . . .
C5 C 0.2980(2) 0.13616(13) 0.97532(12) 0.0421(3) Uani 1 1 d . . . . .
C6 C 0.42137(19) 0.23392(11) 0.94567(10) 0.0367(2) Uani 1 1 d . . . . .
C7 C 0.6335(2) 0.27841(13) 1.01870(11) 0.0419(3) Uani 1 1 d . . . . .
C8 C 0.7472(2) 0.37058(13) 0.99185(12) 0.0468(3) Uani 1 1 d . . . . .
H8 H 0.885365 0.396748 1.039183 0.056 Uiso 1 1 calc R U . . .
C9 C 0.6602(2) 0.42818(13) 0.89307(12) 0.0459(3) Uani 1 1 d . . . . .
C10 C 0.3484(2) 0.45238(12) 0.73027(12) 0.0416(3) Uani 1 1 d . . . . .
H10A H 0.424941 0.534685 0.749672 0.050 Uiso 1 1 calc R U . . .
H10B H 0.201921 0.464684 0.735681 0.050 Uiso 1 1 calc R U . . .
C11 C 0.3479(2) 0.38758(11) 0.59845(11) 0.0390(3) Uani 1 1 d . . . . .
C12 C 0.5331(3) 0.34868(15) 0.56517(14) 0.0545(4) Uani 1 1 d . . . . .
H12 H 0.660779 0.359049 0.625436 0.065 Uiso 1 1 calc R U . . .
C13 C 0.5292(3) 0.29432(18) 0.44245(17) 0.0693(5) Uani 1 1 d . . . . .
H13 H 0.653908 0.266750 0.420994 0.083 Uiso 1 1 calc R U . . .
C14 C 0.3431(4) 0.28078(17) 0.35219(15) 0.0704(5) Uani 1 1 d . . . . .
H14 H 0.342293 0.245174 0.269748 0.084 Uiso 1 1 calc R U . . .
C15 C 0.1586(3) 0.31964(16) 0.38342(15) 0.0654(5) Uani 1 1 d . . . . .
H15 H 0.032251 0.311053 0.322347 0.078 Uiso 1 1 calc R U . . .
C16 C 0.1610(3) 0.37195(14) 0.50674(14) 0.0516(3) Uani 1 1 d . . . . .
H16 H 0.034845 0.396890 0.528011 0.062 Uiso 1 1 calc R U . . .
C17 C -0.1957(2) 0.08509(17) 0.70015(17) 0.0616(4) Uani 1 1 d . . . . .
H17A H -0.276347 0.140143 0.747272 0.092 Uiso 1 1 calc R U . . .
H17B H -0.241396 -0.000543 0.695203 0.092 Uiso 1 1 calc R U . . .
H17C H -0.218735 0.099537 0.617870 0.092 Uiso 1 1 calc R U . . .
C18 C 0.1714(3) 0.02225(15) 0.69017(15) 0.0576(4) Uani 1 1 d . . . . .
H18A H 0.157281 0.039883 0.609588 0.086 Uiso 1 1 calc R U . . .
H18B H 0.118601 -0.063110 0.680884 0.086 Uiso 1 1 calc R U . . .
H18C H 0.319370 0.034380 0.733683 0.086 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 C5 1.2394(16) . ?
O2 H2 0.8200 . ?
O2 C7 1.3434(16) . ?
O3 C9 1.2262(17) . ?
N1 C1 1.3555(15) . ?
N1 C9 1.4309(16) . ?
N1 C10 1.4788(16) . ?
C1 C2 1.5017(17) . ?
C1 C6 1.3824(16) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.5316(18) . ?
C3 C4 1.5256(19) . ?
C3 C17 1.5300(19) . ?
C3 C18 1.530(2) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.494(2) . ?
C5 C6 1.4536(18) . ?
C6 C7 1.4371(18) . ?
C7 C8 1.354(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.420(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.5078(18) . ?
C11 C12 1.381(2) . ?
C11 C16 1.3816(19) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.371(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.368(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.387(2) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 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
C7 O2 H2 109.5 . . ?
C1 N1 C9 122.34(11) . . ?
C1 N1 C10 121.41(10) . . ?
C9 N1 C10 116.16(10) . . ?
N1 C1 C2 118.58(10) . . ?
N1 C1 C6 120.79(11) . . ?
C6 C1 C2 120.62(11) . . ?
C1 C2 H2A 108.9 . . ?
C1 C2 H2B 108.9 . . ?
C1 C2 C3 113.46(11) . . ?
H2A C2 H2B 107.7 . . ?
C3 C2 H2A 108.9 . . ?
C3 C2 H2B 108.9 . . ?
C4 C3 C2 108.29(11) . . ?
C4 C3 C17 109.66(12) . . ?
C4 C3 C18 110.04(12) . . ?
C17 C3 C2 108.74(12) . . ?
C18 C3 C2 110.40(11) . . ?
C18 C3 C17 109.69(13) . . ?
C3 C4 H4A 108.7 . . ?
C3 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C5 C4 C3 114.41(11) . . ?
C5 C4 H4A 108.7 . . ?
C5 C4 H4B 108.7 . . ?
O1 C5 C4 119.80(12) . . ?
O1 C5 C6 121.16(13) . . ?
C6 C5 C4 119.03(11) . . ?
C1 C6 C5 120.76(11) . . ?
C1 C6 C7 118.45(11) . . ?
C7 C6 C5 120.75(11) . . ?
O2 C7 C6 119.80(12) . . ?
O2 C7 C8 119.55(12) . . ?
C8 C7 C6 120.65(12) . . ?
C7 C8 H8 119.2 . . ?
C7 C8 C9 121.50(12) . . ?
C9 C8 H8 119.2 . . ?
O3 C9 N1 118.36(13) . . ?
O3 C9 C8 125.42(13) . . ?
C8 C9 N1 116.22(12) . . ?
N1 C10 H10A 108.6 . . ?
N1 C10 H10B 108.6 . . ?
N1 C10 C11 114.61(10) . . ?
H10A C10 H10B 107.6 . . ?
C11 C10 H10A 108.6 . . ?
C11 C10 H10B 108.6 . . ?
C12 C11 C10 121.55(12) . . ?
C12 C11 C16 118.60(13) . . ?
C16 C11 C10 119.76(13) . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.20(15) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.55(17) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.99(15) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.60(16) . . ?
C16 C15 H15 120.2 . . ?
C11 C16 C15 121.04(16) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C3 C17 H17A 109.5 . . ?
C3 C17 H17B 109.5 . . ?
C3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C3 C18 H18A 109.5 . . ?
C3 C18 H18B 109.5 . . ?
C3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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 C5 C6 C1 -175.59(12) . . . . ?
O1 C5 C6 C7 1.91(19) . . . . ?
O2 C7 C8 C9 -179.20(13) . . . . ?
N1 C1 C2 C3 153.47(11) . . . . ?
N1 C1 C6 C5 177.44(11) . . . . ?
N1 C1 C6 C7 -0.12(17) . . . . ?
N1 C10 C11 C12 -53.03(16) . . . . ?
N1 C10 C11 C16 130.34(13) . . . . ?
C1 N1 C9 O3 176.92(13) . . . . ?
C1 N1 C9 C8 -2.34(19) . . . . ?
C1 N1 C10 C11 -82.31(14) . . . . ?
C1 C2 C3 C4 52.08(14) . . . . ?
C1 C2 C3 C17 171.18(11) . . . . ?
C1 C2 C3 C18 -68.45(15) . . . . ?
C1 C6 C7 O2 178.93(11) . . . . ?
C1 C6 C7 C8 -1.62(18) . . . . ?
C2 C1 C6 C5 -1.66(17) . . . . ?
C2 C1 C6 C7 -179.22(11) . . . . ?
C2 C3 C4 C5 -51.01(16) . . . . ?
C3 C4 C5 O1 -156.42(13) . . . . ?
C3 C4 C5 C6 24.84(18) . . . . ?
C4 C5 C6 C1 3.13(18) . . . . ?
C4 C5 C6 C7 -179.37(11) . . . . ?
C5 C6 C7 O2 1.37(19) . . . . ?
C5 C6 C7 C8 -179.18(12) . . . . ?
C6 C1 C2 C3 -27.41(16) . . . . ?
C6 C7 C8 C9 1.4(2) . . . . ?
C7 C8 C9 O3 -178.64(15) . . . . ?
C7 C8 C9 N1 0.6(2) . . . . ?
C9 N1 C1 C2 -178.75(11) . . . . ?
C9 N1 C1 C6 2.13(18) . . . . ?
C9 N1 C10 C11 101.06(13) . . . . ?
C10 N1 C1 C2 4.83(16) . . . . ?
C10 N1 C1 C6 -174.29(11) . . . . ?
C10 N1 C9 O3 -6.48(19) . . . . ?
C10 N1 C9 C8 174.26(11) . . . . ?
C10 C11 C12 C13 -177.22(14) . . . . ?
C10 C11 C16 C15 176.02(13) . . . . ?
C11 C12 C13 C14 1.3(3) . . . . ?
C12 C11 C16 C15 -0.7(2) . . . . ?
C12 C13 C14 C15 -0.9(3) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
C14 C15 C16 C11 1.2(2) . . . . ?
C16 C11 C12 C13 -0.6(2) . . . . ?
C17 C3 C4 C5 -169.52(12) . . . . ?
C18 C3 C4 C5 69.74(15) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.489
_oxdiff_exptl_absorpt_empirical_full_min 0.460
