# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_lw-1
_database_code_depnum_ccdc_archive 'CCDC 1850084'
_audit_update_record             
;
2018-06-18 deposited with the CCDC.
2018-08-07 downloaded from the CCDC.
;
_audit_creation_date             2018-04-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H32 N2 O8'
_chemical_formula_sum            'C36 H32 N2 O8'
_chemical_formula_weight         620.63
_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.9695(15)
_cell_length_b                   8.1566(5)
_cell_length_c                   12.1516(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.466(5)
_cell_angle_gamma                90
_cell_volume                     2970.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2380
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.0800
_cell_measurement_theta_min      2.9210
_shelx_estimated_absorpt_T_max   0.909
_shelx_estimated_absorpt_T_min   0.895
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5681
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.381
_diffrn_reflns_theta_min         2.949
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -7.00  31.00   1.00    6.00    --  -40.98  38.00 120.00   38
  2  ω    -65.00 -32.00   1.00    6.00    --  -40.98  38.00 120.00   33
  3  ω    -94.00  -2.00   1.00    6.00    --  -40.98 125.00 150.00   92
  4  ω   -108.00 -14.00   1.00    6.00    --  -40.98 -57.00 -90.00   94
  5  ω     47.00 109.00   1.00    8.00    --  106.95 -95.00 -30.00   62
  6  ω     43.00 119.00   1.00    8.00    --  106.95-125.00-180.00   76
  7  ω     34.00 129.00   1.00    8.00    --  106.95 -45.00 -60.00   95
  8  ω     81.00 171.00   1.00    8.00    --  106.95  30.00-120.00   90
  9  ω    129.00 156.00   1.00    8.00    --  106.95 125.00   0.00   27
 10  ω     89.00 178.00   1.00    8.00    --  106.95  61.00  90.00   89
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0258173000
_diffrn_orient_matrix_UB_12      0.1615298000
_diffrn_orient_matrix_UB_13      0.0157139000
_diffrn_orient_matrix_UB_21      0.0380116000
_diffrn_orient_matrix_UB_22      0.0946256000
_diffrn_orient_matrix_UB_23      -0.0562055000
_diffrn_orient_matrix_UB_31      -0.0230465000
_diffrn_orient_matrix_UB_32      -0.0246609000
_diffrn_orient_matrix_UB_33      -0.1126050000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2377
_reflns_number_total             2896
_reflns_odcompleteness_completeness 99.72
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         2896
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0743
_refine_ls_restrained_S_all      1.023
_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)+(0.0975P)²+20.4213P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2221
_refine_ls_wR_factor_ref         0.2329
_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.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C10(H10), C13(H13), C12(H12)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C14(H14A,H14B,H14C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.43414(7) 0.5090(3) 0.71828(16) 0.0173(5) Uani 1 1 d . . . . .
O2 O 0.37965(8) 0.3389(3) 0.75739(18) 0.0243(6) Uani 1 1 d . . . . .
O3 O 0.31628(8) 0.2713(3) 0.59054(19) 0.0261(6) Uani 1 1 d . . . . .
O4 O 0.32650(8) 0.4181(3) 0.43674(19) 0.0270(6) Uani 1 1 d . . . . .
N1 N 0.63174(10) 0.9905(4) 0.6068(2) 0.0241(7) Uani 1 1 d . . . . .
C8 C 0.45894(10) 0.6022(4) 0.6457(2) 0.0149(6) Uani 1 1 d . . . . .
C4 C 0.44637(10) 0.6091(4) 0.5343(3) 0.0170(7) Uani 1 1 d . . . . .
C5 C 0.40619(10) 0.5290(4) 0.5010(2) 0.0163(7) Uani 1 1 d . . . . .
C9 C 0.49539(10) 0.6836(4) 0.6893(2) 0.0153(6) Uani 1 1 d . . . . .
C2 C 0.51119(10) 0.7769(4) 0.5001(3) 0.0173(7) Uani 1 1 d . . . . .
C1 C 0.52328(10) 0.7710(4) 0.6137(3) 0.0165(7) Uani 1 1 d . . . . .
C3 C 0.47265(10) 0.6981(4) 0.4625(2) 0.0176(7) Uani 1 1 d . . . . .
H3 H 0.464544 0.705434 0.388615 0.021 Uiso 1 1 calc R . . . .
C11 C 0.59111(11) 0.9290(4) 0.5749(3) 0.0187(7) Uani 1 1 d . . . . .
C7 C 0.39625(10) 0.4222(4) 0.6863(3) 0.0180(7) Uani 1 1 d . . . . .
C10 C 0.56289(10) 0.8502(4) 0.6490(2) 0.0165(7) Uani 1 1 d . . . . .
H10 H 0.570335 0.849814 0.723405 0.020 Uiso 1 1 calc R . . . .
C6 C 0.38107(10) 0.4429(4) 0.5725(3) 0.0183(7) Uani 1 1 d . . . . .
C16 C 0.33816(10) 0.3656(4) 0.5369(3) 0.0198(7) Uani 1 1 d . . . . .
C13 C 0.53888(11) 0.8673(4) 0.4272(3) 0.0188(7) Uani 1 1 d . . . . .
H13 H 0.530578 0.876591 0.353539 0.023 Uiso 1 1 calc R . . . .
C12 C 0.57708(11) 0.9402(4) 0.4626(3) 0.0214(7) Uani 1 1 d . . . . .
H12 H 0.594400 0.998446 0.412930 0.026 Uiso 1 1 calc R . . . .
C15 C 0.64887(12) 0.9667(5) 0.7180(3) 0.0281(8) Uani 1 1 d . . . . .
H15A H 0.636400 1.048150 0.765760 0.042 Uiso 1 1 calc GR . . . .
H15B H 0.680788 0.976784 0.718020 0.042 Uiso 1 1 calc GR . . . .
H15C H 0.640735 0.859526 0.743508 0.042 Uiso 1 1 calc GR . . . .
C14 C 0.65759(12) 1.0967(5) 0.5346(3) 0.0278(8) Uani 1 1 d . . . . .
H14A H 0.672581 1.031086 0.480664 0.042 Uiso 1 1 calc GR . . . .
H14B H 0.679246 1.156114 0.577391 0.042 Uiso 1 1 calc GR . . . .
H14C H 0.637954 1.172585 0.498133 0.042 Uiso 1 1 calc GR . . . .
C17 C 0.28395(11) 0.3589(5) 0.3948(3) 0.0279(8) Uani 1 1 d . . . . .
H17A H 0.259721 0.401260 0.438974 0.033 Uiso 1 1 calc R . . . .
H17B H 0.283036 0.240109 0.397158 0.033 Uiso 1 1 calc R . . . .
C18 C 0.27946(13) 0.4182(6) 0.2779(3) 0.0346(9) Uani 1 1 d . . . . .
H18A H 0.303769 0.376477 0.235197 0.052 Uiso 1 1 calc GR . . . .
H18B H 0.280011 0.535875 0.276707 0.052 Uiso 1 1 calc GR . . . .
H18C H 0.251732 0.380063 0.247130 0.052 Uiso 1 1 calc GR . . . .
H5 H 0.3970(11) 0.536(4) 0.432(3) 0.006(8) Uiso 1 1 d . . . . .


_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 C8 1.385(4) . ?
O1 C7 1.391(4) . ?
O2 C7 1.209(4) . ?
O3 C16 1.206(4) . ?
O4 C16 1.334(4) . ?
O4 C17 1.452(4) . ?
N1 C11 1.370(4) . ?
N1 C15 1.455(5) . ?
N1 C14 1.460(4) . ?
C8 C4 1.404(4) . ?
C8 C9 1.380(4) . ?
C4 C5 1.426(4) . ?
C4 C3 1.386(4) . ?
C5 C6 1.352(5) . ?
C5 H5 0.88(4) . ?
C9 C9 1.498(6) 2_656 ?
C9 C1 1.436(4) . ?
C2 C1 1.425(4) . ?
C2 C3 1.396(5) . ?
C2 C13 1.425(4) . ?
C1 C10 1.415(4) . ?
C3 H3 0.9300 . ?
C11 C10 1.397(4) . ?
C11 C12 1.427(5) . ?
C7 C6 1.461(4) . ?
C10 H10 0.9300 . ?
C6 C16 1.493(4) . ?
C13 H13 0.9300 . ?
C13 C12 1.357(5) . ?
C12 H12 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.506(5) . ?
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
C8 O1 C7 122.9(2) . . ?
C16 O4 C17 115.9(3) . . ?
C11 N1 C15 121.3(3) . . ?
C11 N1 C14 121.5(3) . . ?
C15 N1 C14 116.9(3) . . ?
O1 C8 C4 119.6(3) . . ?
C9 C8 O1 116.6(3) . . ?
C9 C8 C4 123.8(3) . . ?
C8 C4 C5 118.4(3) . . ?
C3 C4 C8 118.6(3) . . ?
C3 C4 C5 123.0(3) . . ?
C4 C5 H5 120(2) . . ?
C6 C5 C4 121.9(3) . . ?
C6 C5 H5 118(2) . . ?
C8 C9 C9 121.1(3) . 2_656 ?
C8 C9 C1 117.1(3) . . ?
C1 C9 C9 121.7(3) . 2_656 ?
C3 C2 C1 120.3(3) . . ?
C3 C2 C13 121.3(3) . . ?
C13 C2 C1 118.4(3) . . ?
C2 C1 C9 119.5(3) . . ?
C10 C1 C9 121.6(3) . . ?
C10 C1 C2 118.9(3) . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
N1 C11 C10 121.8(3) . . ?
N1 C11 C12 120.1(3) . . ?
C10 C11 C12 118.1(3) . . ?
O1 C7 C6 116.9(3) . . ?
O2 C7 O1 115.2(3) . . ?
O2 C7 C6 127.9(3) . . ?
C1 C10 H10 119.1 . . ?
C11 C10 C1 121.7(3) . . ?
C11 C10 H10 119.1 . . ?
C5 C6 C7 119.9(3) . . ?
C5 C6 C16 121.0(3) . . ?
C7 C6 C16 119.1(3) . . ?
O3 C16 O4 124.0(3) . . ?
O3 C16 C6 125.7(3) . . ?
O4 C16 C6 110.4(3) . . ?
C2 C13 H13 119.2 . . ?
C12 C13 C2 121.6(3) . . ?
C12 C13 H13 119.2 . . ?
C11 C12 H12 119.4 . . ?
C13 C12 C11 121.1(3) . . ?
C13 C12 H12 119.4 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O4 C17 H17A 110.3 . . ?
O4 C17 H17B 110.3 . . ?
O4 C17 C18 107.2(3) . . ?
H17A C17 H17B 108.5 . . ?
C18 C17 H17A 110.3 . . ?
C18 C17 H17B 110.3 . . ?
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 . . ?

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 C8 C4 C5 4.7(4) . . . . ?
O1 C8 C4 C3 -177.6(3) . . . . ?
O1 C8 C9 C9 -5.9(4) . . . 2_656 ?
O1 C8 C9 C1 175.6(3) . . . . ?
O1 C7 C6 C5 6.9(5) . . . . ?
O1 C7 C6 C16 -174.1(3) . . . . ?
O2 C7 C6 C5 -173.7(3) . . . . ?
O2 C7 C6 C16 5.3(5) . . . . ?
N1 C11 C10 C1 -172.9(3) . . . . ?
N1 C11 C12 C13 174.0(3) . . . . ?
C8 O1 C7 O2 175.9(3) . . . . ?
C8 O1 C7 C6 -4.6(4) . . . . ?
C8 C4 C5 C6 -2.4(5) . . . . ?
C8 C4 C3 C2 1.0(5) . . . . ?
C8 C9 C1 C2 3.1(4) . . . . ?
C8 C9 C1 C10 -176.2(3) . . . . ?
C4 C8 C9 C9 174.4(3) . . . 2_656 ?
C4 C8 C9 C1 -4.2(5) . . . . ?
C4 C5 C6 C7 -3.5(5) . . . . ?
C4 C5 C6 C16 177.5(3) . . . . ?
C5 C4 C3 C2 178.7(3) . . . . ?
C5 C6 C16 O3 170.7(3) . . . . ?
C5 C6 C16 O4 -10.5(4) . . . . ?
C9 C8 C4 C5 -175.6(3) . . . . ?
C9 C8 C4 C3 2.2(5) . . . . ?
C9 C9 C1 C2 -175.4(3) 2_656 . . . ?
C9 C9 C1 C10 5.3(4) 2_656 . . . ?
C9 C1 C10 C11 177.1(3) . . . . ?
C2 C1 C10 C11 -2.2(5) . . . . ?
C2 C13 C12 C11 0.1(5) . . . . ?
C1 C2 C3 C4 -1.9(5) . . . . ?
C1 C2 C13 C12 3.1(5) . . . . ?
C3 C4 C5 C6 -180.0(3) . . . . ?
C3 C2 C1 C9 -0.2(5) . . . . ?
C3 C2 C1 C10 179.1(3) . . . . ?
C3 C2 C13 C12 -178.1(3) . . . . ?
C7 O1 C8 C4 -1.1(4) . . . . ?
C7 O1 C8 C9 179.1(3) . . . . ?
C7 C6 C16 O3 -8.3(5) . . . . ?
C7 C6 C16 O4 170.5(3) . . . . ?
C10 C11 C12 C13 -4.2(5) . . . . ?
C16 O4 C17 C18 -174.4(3) . . . . ?
C13 C2 C1 C9 178.7(3) . . . . ?
C13 C2 C1 C10 -2.0(5) . . . . ?
C13 C2 C3 C4 179.2(3) . . . . ?
C12 C11 C10 C1 5.3(5) . . . . ?
C15 N1 C11 C10 4.3(5) . . . . ?
C15 N1 C11 C12 -173.8(3) . . . . ?
C14 N1 C11 C10 -169.3(3) . . . . ?
C14 N1 C11 C12 12.5(5) . . . . ?
C17 O4 C16 O3 2.1(5) . . . . ?
C17 O4 C16 C6 -176.7(3) . . . . ?

_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 2.022
_oxdiff_exptl_absorpt_empirical_full_min 0.164
