# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_sa4696a
_database_code_depnum_ccdc_archive 'CCDC 1511678'
_audit_update_record             
;
2016-10-26 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
_audit_creation_date             2016-04-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C20 H21 N O3'
_chemical_formula_sum            'C20 H21 N O3'
_chemical_formula_weight         323.38
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.649(3)
_cell_length_b                   9.1488(18)
_cell_length_c                   13.375(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.24(3)
_cell_angle_gamma                90
_cell_volume                     1751.8(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4871
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4774
_cell_measurement_theta_min      1.4224
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12038
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.476
_diffrn_reflns_theta_min         3.117
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 10.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 45.1074
	          2theta: -20.0072
scan:
	Number of images: 298
	           Slice: -80.0000 - 69.0000
	     Image width: 0.5000
	        Exp time: 10.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 270.0000
	             XTD: 45.1074
	          2theta: -20.0072
;
_diffrn_measurement_device       
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details 
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'Saturn724+ CCD'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_number_total             4218
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0070
_diffrn_orient_matrix_UB_12      -0.0417
_diffrn_orient_matrix_UB_13      -0.0637
_diffrn_orient_matrix_UB_21      -0.0149
_diffrn_orient_matrix_UB_22      -0.0913
_diffrn_orient_matrix_UB_23      0.0582
_diffrn_orient_matrix_UB_31      -0.0660
_diffrn_orient_matrix_UB_32      -0.0037
_diffrn_orient_matrix_UB_33      -0.0226
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           30.0000
_diffrn_source_power             1.5000
_diffrn_source_voltage           50.0000
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3619
_reflns_number_total             3959
_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       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2014)'
_computing_structure_solution    
;
'SHELXT (Sheldrick, 2014)'
;
_refine_diff_density_max         0.193
_refine_diff_density_min         -0.176
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3959
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0612
_refine_ls_restrained_S_all      1.212
_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)+(0.0310P)²+0.6990P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1215
_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 Ternary CH refined with riding coordinates:
 C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15)
2.d Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_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 0.51778(9) 0.53152(14) 0.23415(9) 0.0420(3) Uani 1 1 d . . . . .
O2 O 0.69857(8) 0.15591(13) 0.39505(10) 0.0377(3) Uani 1 1 d . . . . .
O3 O 0.68129(8) 0.36656(13) 0.23427(8) 0.0328(3) Uani 1 1 d . . . . .
N1 N 0.62793(10) 0.35914(15) 0.30815(10) 0.0303(3) Uani 1 1 d . . . . .
C1 C 0.63636(11) 0.24507(17) 0.37935(12) 0.0286(3) Uani 1 1 d . . . . .
C2 C 0.55483(11) 0.26464(17) 0.42808(12) 0.0282(3) Uani 1 1 d . . . . .
C3 C 0.49984(11) 0.37772(17) 0.37833(12) 0.0280(3) Uani 1 1 d . . . . .
C4 C 0.54442(11) 0.43779(17) 0.29713(12) 0.0305(3) Uani 1 1 d . . . . .
C5 C 0.41802(12) 0.41806(19) 0.40612(13) 0.0336(4) Uani 1 1 d . . . . .
H5 H 0.3814 0.4940 0.3732 0.040 Uiso 1 1 calc R . . . .
C6 C 0.39234(13) 0.3408(2) 0.48537(14) 0.0389(4) Uani 1 1 d . . . . .
H6 H 0.3372 0.3647 0.5054 0.047 Uiso 1 1 calc R . . . .
C7 C 0.44774(13) 0.2283(2) 0.53514(14) 0.0406(4) Uani 1 1 d . . . . .
H7 H 0.4290 0.1785 0.5880 0.049 Uiso 1 1 calc R . . . .
C8 C 0.53082(12) 0.18851(19) 0.50741(13) 0.0352(4) Uani 1 1 d . . . . .
H8 H 0.5683 0.1139 0.5410 0.042 Uiso 1 1 calc R . . . .
C9 C 0.77725(11) 0.41423(18) 0.27816(13) 0.0309(4) Uani 1 1 d . . . . .
H9 H 0.8073 0.3419 0.3286 0.037 Uiso 1 1 calc R . . . .
C10 C 0.78056(11) 0.56147(17) 0.32910(12) 0.0298(3) Uani 1 1 d . . . . .
C11 C 0.83939(12) 0.58171(19) 0.42427(13) 0.0345(4) Uani 1 1 d . . . . .
H11 H 0.8729 0.5028 0.4572 0.041 Uiso 1 1 calc R . . . .
C12 C 0.84874(13) 0.7182(2) 0.47083(14) 0.0396(4) Uani 1 1 d . . . . .
H12 H 0.8886 0.7304 0.5344 0.048 Uiso 1 1 calc R . . . .
C13 C 0.79879(13) 0.8357(2) 0.42268(14) 0.0401(4) Uani 1 1 d . . . . .
H13 H 0.8050 0.9273 0.4535 0.048 Uiso 1 1 calc R . . . .
C14 C 0.73959(14) 0.81651(19) 0.32865(14) 0.0393(4) Uani 1 1 d . . . . .
H14 H 0.7055 0.8954 0.2965 0.047 Uiso 1 1 calc R . . . .
C15 C 0.73041(13) 0.68073(18) 0.28149(13) 0.0361(4) Uani 1 1 d . . . . .
H15 H 0.6906 0.6693 0.2178 0.043 Uiso 1 1 calc R . . . .
C16 C 0.82533(12) 0.41278(18) 0.18704(14) 0.0356(4) Uani 1 1 d . . . . .
H16A H 0.8681 0.4949 0.1942 0.043 Uiso 1 1 calc R . . . .
H16B H 0.7781 0.4286 0.1252 0.043 Uiso 1 1 calc R . . . .
C17 C 0.87977(12) 0.2737(2) 0.17252(14) 0.0372(4) Uani 1 1 d . . . . .
C18 C 0.91769(14) 0.2939(2) 0.07507(16) 0.0479(5) Uani 1 1 d . . . . .
H18A H 0.8665 0.3044 0.0174 0.072 Uiso 1 1 calc GR . . . .
H18B H 0.9543 0.2102 0.0652 0.072 Uiso 1 1 calc GR . . . .
H18C H 0.9561 0.3799 0.0815 0.072 Uiso 1 1 calc GR . . . .
C19 C 0.96223(16) 0.2543(3) 0.26293(18) 0.0667(7) Uani 1 1 d . . . . .
H19A H 0.9999 0.3410 0.2711 0.100 Uiso 1 1 calc GR . . . .
H19B H 0.9992 0.1723 0.2504 0.100 Uiso 1 1 calc GR . . . .
H19C H 0.9394 0.2372 0.3241 0.100 Uiso 1 1 calc GR . . . .
C20 C 0.81602(16) 0.1404(2) 0.16094(17) 0.0519(5) Uani 1 1 d . . . . .
H20A H 0.7924 0.1277 0.2221 0.078 Uiso 1 1 calc GR . . . .
H20B H 0.8507 0.0551 0.1497 0.078 Uiso 1 1 calc GR . . . .
H20C H 0.7648 0.1543 0.1037 0.078 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 C4 1.207(2) . ?
O2 C1 1.2077(19) . ?
O3 N1 1.3854(18) . ?
O3 C9 1.470(2) . ?
N1 C1 1.401(2) . ?
N1 C4 1.400(2) . ?
C1 C2 1.488(2) . ?
C2 C3 1.391(2) . ?
C2 C8 1.376(2) . ?
C3 C4 1.486(2) . ?
C3 C5 1.378(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.390(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.394(3) . ?
C8 H8 0.9300 . ?
C9 H9 0.9800 . ?
C9 C10 1.506(2) . ?
C9 C16 1.532(2) . ?
C10 C11 1.390(2) . ?
C10 C15 1.392(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.389(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.381(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.379(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.387(2) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.536(2) . ?
C17 C18 1.533(3) . ?
C17 C19 1.528(3) . ?
C17 C20 1.524(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 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
N1 O3 C9 111.47(11) . . ?
O3 N1 C1 122.67(13) . . ?
O3 N1 C4 120.82(13) . . ?
C4 N1 C1 113.81(14) . . ?
O2 C1 N1 125.17(16) . . ?
O2 C1 C2 130.64(15) . . ?
N1 C1 C2 104.18(13) . . ?
C3 C2 C1 108.50(14) . . ?
C8 C2 C1 129.58(15) . . ?
C8 C2 C3 121.91(16) . . ?
C2 C3 C4 108.96(14) . . ?
C5 C3 C2 121.25(16) . . ?
C5 C3 C4 129.79(15) . . ?
O1 C4 N1 125.77(16) . . ?
O1 C4 C3 130.19(16) . . ?
N1 C4 C3 104.04(13) . . ?
C3 C5 H5 121.3 . . ?
C3 C5 C6 117.42(16) . . ?
C6 C5 H5 121.3 . . ?
C5 C6 H6 119.4 . . ?
C7 C6 C5 121.12(17) . . ?
C7 C6 H6 119.4 . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.32(17) . . ?
C8 C7 H7 119.3 . . ?
C2 C8 C7 116.98(16) . . ?
C2 C8 H8 121.5 . . ?
C7 C8 H8 121.5 . . ?
O3 C9 H9 109.0 . . ?
O3 C9 C10 112.49(13) . . ?
O3 C9 C16 103.99(13) . . ?
C10 C9 H9 109.0 . . ?
C10 C9 C16 113.06(14) . . ?
C16 C9 H9 109.0 . . ?
C11 C10 C9 119.19(14) . . ?
C11 C10 C15 118.63(15) . . ?
C15 C10 C9 122.08(15) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.89(16) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 119.92(16) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.65(17) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.69(17) . . ?
C15 C14 H14 119.7 . . ?
C10 C15 H15 119.9 . . ?
C14 C15 C10 120.22(16) . . ?
C14 C15 H15 119.9 . . ?
C9 C16 H16A 108.2 . . ?
C9 C16 H16B 108.2 . . ?
C9 C16 C17 116.52(14) . . ?
H16A C16 H16B 107.3 . . ?
C17 C16 H16A 108.2 . . ?
C17 C16 H16B 108.2 . . ?
C18 C17 C16 107.38(15) . . ?
C19 C17 C16 109.93(16) . . ?
C19 C17 C18 108.60(17) . . ?
C20 C17 C16 110.65(15) . . ?
C20 C17 C18 109.58(15) . . ?
C20 C17 C19 110.62(18) . . ?
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 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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
O2 C1 C2 C3 -176.12(16) . . . . ?
O2 C1 C2 C8 2.8(3) . . . . ?
O3 N1 C1 O2 12.1(2) . . . . ?
O3 N1 C1 C2 -168.95(13) . . . . ?
O3 N1 C4 O1 -11.0(2) . . . . ?
O3 N1 C4 C3 168.63(12) . . . . ?
O3 C9 C10 C11 135.31(15) . . . . ?
O3 C9 C10 C15 -48.3(2) . . . . ?
O3 C9 C16 C17 -94.88(17) . . . . ?
N1 O3 C9 C10 -58.45(16) . . . . ?
N1 O3 C9 C16 178.87(12) . . . . ?
N1 C1 C2 C3 5.05(16) . . . . ?
N1 C1 C2 C8 -176.04(16) . . . . ?
C1 N1 C4 O1 -172.83(16) . . . . ?
C1 N1 C4 C3 6.79(17) . . . . ?
C1 C2 C3 C4 -1.18(17) . . . . ?
C1 C2 C3 C5 178.59(14) . . . . ?
C1 C2 C8 C7 -177.88(15) . . . . ?
C2 C3 C4 O1 176.43(17) . . . . ?
C2 C3 C4 N1 -3.16(16) . . . . ?
C2 C3 C5 C6 -0.4(2) . . . . ?
C3 C2 C8 C7 0.9(2) . . . . ?
C3 C5 C6 C7 0.7(2) . . . . ?
C4 N1 C1 O2 173.61(15) . . . . ?
C4 N1 C1 C2 -7.49(17) . . . . ?
C4 C3 C5 C6 179.34(15) . . . . ?
C5 C3 C4 O1 -3.3(3) . . . . ?
C5 C3 C4 N1 177.09(16) . . . . ?
C5 C6 C7 C8 -0.2(3) . . . . ?
C6 C7 C8 C2 -0.6(3) . . . . ?
C8 C2 C3 C4 179.81(14) . . . . ?
C8 C2 C3 C5 -0.4(2) . . . . ?
C9 O3 N1 C1 -76.19(17) . . . . ?
C9 O3 N1 C4 123.61(15) . . . . ?
C9 C10 C11 C12 175.98(16) . . . . ?
C9 C10 C15 C14 -176.29(16) . . . . ?
C9 C16 C17 C18 177.46(15) . . . . ?
C9 C16 C17 C19 -64.6(2) . . . . ?
C9 C16 C17 C20 57.9(2) . . . . ?
C10 C9 C16 C17 142.81(15) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C11 C10 C15 C14 0.1(3) . . . . ?
C11 C12 C13 C14 0.2(3) . . . . ?
C12 C13 C14 C15 -0.7(3) . . . . ?
C13 C14 C15 C10 0.5(3) . . . . ?
C15 C10 C11 C12 -0.5(3) . . . . ?
C16 C9 C10 C11 -107.27(17) . . . . ?
C16 C9 C10 C15 69.1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
