# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_xugq0518
_database_code_depnum_ccdc_archive 'CCDC 1415206'
_audit_update_record             
;
2015-07-27 deposited with the CCDC.
2015-11-12 downloaded from the CCDC.
;
_audit_creation_date             2015-05-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C20 H18 Br N2 O2'
_chemical_formula_sum            'C20 H18 Br N2 O2'
_chemical_formula_weight         398.27
_chemical_melting_point          333
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'
Br Br -0.2901 2.4595 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.3148(10)
_cell_length_b                   7.1192(5)
_cell_length_c                   21.3182(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.830(8)
_cell_angle_gamma                90.00
_cell_volume                     1713.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    684
_cell_measurement_temperature    293.18(10)
_cell_measurement_theta_max      18.0780
_cell_measurement_theta_min      3.8260
_exptl_absorpt_coefficient_mu    2.415
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             812
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.24
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0659
_diffrn_reflns_av_unetI/netI     0.1382
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            6448
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.38
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.18(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -52.00   65.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854  -19.0000   60.0000 78

#__ type_ start__ end____ width___ exp.time_
  2 omega   45.00   96.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854 -178.0000   60.0000 34

#__ type_ start__ end____ width___ exp.time_
  3 omega   67.00   94.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854  178.0000  150.0000 18

#__ type_ start__ end____ width___ exp.time_
  4 omega   40.00   67.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854  178.0000  120.0000 18
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0606601000
_diffrn_orient_matrix_UB_12      -0.0185588000
_diffrn_orient_matrix_UB_13      0.0082940000
_diffrn_orient_matrix_UB_21      -0.0021524000
_diffrn_orient_matrix_UB_22      -0.0782666000
_diffrn_orient_matrix_UB_23      -0.0205969000
_diffrn_orient_matrix_UB_31      0.0162995000
_diffrn_orient_matrix_UB_32      0.0587505000
_diffrn_orient_matrix_UB_33      -0.0248781000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1325
_reflns_number_total             3375
_reflns_odcompleteness_completeness 99.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.274
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3375
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2026
_refine_ls_R_factor_gt           0.0716
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0379P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1642
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C11(H11), C12(H12), C13(H13), C14(H14), C19(H19)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Br1 Br 0.71129(9) 0.96219(12) 0.22388(4) 0.1057(5) Uani 1 d . . .
O1 O 0.6055(4) 1.2540(7) 0.5040(2) 0.0679(14) Uani 1 d . . .
O2 O 0.6365(4) 1.5289(7) 0.4558(2) 0.0673(13) Uani 1 d . . .
N1 N 0.2435(5) 0.9376(7) 0.3484(2) 0.0568(15) Uani 1 d . . .
N2 N 0.5068(5) 1.3318(7) 0.4098(2) 0.0509(14) Uani 1 d . . .
C1 C 0.3507(6) 0.9450(8) 0.3203(3) 0.0501(17) Uani 1 d . . .
C2 C 0.3689(6) 0.8365(9) 0.2664(3) 0.0628(19) Uani 1 d . . .
H2 H 0.3086 0.7591 0.2497 0.075 Uiso 1 calc . . R
C3 C 0.4743(8) 0.8436(10) 0.2383(3) 0.071(2) Uani 1 d . . .
H3 H 0.4840 0.7739 0.2021 0.085 Uiso 1 calc . . R
C4 C 0.5656(7) 0.9527(10) 0.2631(3) 0.068(2) Uani 1 d . . .
C5 C 0.5508(6) 1.0609(8) 0.3162(3) 0.0542(18) Uani 1 d . . .
H5 H 0.6126 1.1361 0.3326 0.065 Uiso 1 calc . . R
C6 C 0.4454(6) 1.0575(8) 0.3448(2) 0.0440(16) Uani 1 d . . .
C7 C 0.4304(5) 1.1695(8) 0.4041(3) 0.0476(16) Uani 1 d . . .
H7 H 0.4524 1.0869 0.4398 0.057 Uiso 1 calc . . R
C8 C 0.3001(5) 1.2191(8) 0.4079(3) 0.0512(17) Uani 1 d . . .
H8A H 0.2896 1.2879 0.4464 0.061 Uiso 1 calc . . R
H8B H 0.2745 1.2990 0.3727 0.061 Uiso 1 calc . . R
C9 C 0.2262(5) 1.0443(8) 0.4065(3) 0.0504(17) Uani 1 d . . .
H9 H 0.2544 0.9660 0.4423 0.060 Uiso 1 calc . . R
C10 C 0.0954(6) 1.0800(10) 0.4119(3) 0.0551(18) Uani 1 d . . .
C11 C 0.0520(7) 1.2417(12) 0.4371(3) 0.082(2) Uani 1 d . . .
H11 H 0.1032 1.3386 0.4499 0.098 Uiso 1 calc . . R
C12 C -0.0686(8) 1.2591(13) 0.4433(4) 0.101(3) Uani 1 d . . .
H12 H -0.0974 1.3682 0.4607 0.121 Uiso 1 calc . . R
C13 C -0.1455(7) 1.1218(17) 0.4246(4) 0.097(3) Uani 1 d . . .
H13 H -0.2263 1.1360 0.4289 0.116 Uiso 1 calc . . R
C14 C -0.1027(8) 0.9647(14) 0.3999(4) 0.111(3) Uani 1 d . . .
H14 H -0.1550 0.8697 0.3867 0.133 Uiso 1 calc . . R
C15 C 0.0162(7) 0.9405(12) 0.3936(4) 0.080(2) Uani 1 d . . .
C16 C 0.0681(8) 0.7660(13) 0.3695(6) 0.178(6) Uani 1 d . . .
H16A H 0.0897 0.6861 0.4053 0.214 Uiso 1 calc . . R
H16B H 0.0064 0.7013 0.3441 0.214 Uiso 1 calc . . R
C17 C 0.1637(8) 0.7807(10) 0.3349(4) 0.100(3) Uani 1 d . . .
H17A H 0.1357 0.7882 0.2909 0.120 Uiso 1 calc . . R
H17B H 0.2092 0.6657 0.3402 0.120 Uiso 1 calc . . R
C18 C 0.4957(7) 1.4997(9) 0.3712(3) 0.066(2) Uani 1 d . . .
H18A H 0.4184 1.5571 0.3735 0.079 Uiso 1 calc . . R
H18B H 0.5086 1.4720 0.3276 0.079 Uiso 1 calc . . R
C19 C 0.5924(6) 1.6246(10) 0.4004(3) 0.072(2) Uani 1 d . . .
H19 H 0.6178 1.7394 0.3853 0.086 Uiso 1 calc . . R
C20 C 0.5848(6) 1.3602(10) 0.4605(3) 0.0515(17) Uani 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
Br1 C4 1.899(7) . ?
O1 C20 1.206(7) . ?
O2 C19 1.425(8) . ?
O2 C20 1.343(7) . ?
N1 C1 1.390(7) . ?
N1 C9 1.478(7) . ?
N1 C17 1.452(8) . ?
N2 C7 1.444(7) . ?
N2 C18 1.452(7) . ?
N2 C20 1.364(8) . ?
C1 C2 1.412(8) . ?
C1 C6 1.409(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.371(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.370(9) . ?
C4 C5 1.389(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.375(7) . ?
C6 C7 1.515(7) . ?
C7 H7 0.9800 . ?
C7 C8 1.523(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.499(7) . ?
C9 H9 0.9800 . ?
C9 C10 1.514(8) . ?
C10 C11 1.375(8) . ?
C10 C15 1.376(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.385(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.350(10) . ?
C13 H13 0.9300 . ?
C13 C14 1.341(11) . ?
C14 H14 0.9300 . ?
C14 C15 1.372(10) . ?
C15 C16 1.481(10) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.354(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.511(8) . ?
C19 H19 0.9300 . ?

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
C20 O2 C19 111.1(6) . . ?
C1 N1 C9 120.7(5) . . ?
C1 N1 C17 119.5(5) . . ?
C17 N1 C9 116.5(5) . . ?
C7 N2 C18 125.6(6) . . ?
C20 N2 C7 122.5(6) . . ?
C20 N2 C18 110.8(6) . . ?
N1 C1 C2 120.6(6) . . ?
N1 C1 C6 121.7(5) . . ?
C6 C1 C2 117.6(6) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.0(7) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.5(6) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 Br1 120.3(5) . . ?
C3 C4 C5 120.1(6) . . ?
C5 C4 Br1 119.6(6) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(6) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C7 118.9(5) . . ?
C5 C6 C1 120.5(5) . . ?
C5 C6 C7 120.6(6) . . ?
N2 C7 C6 113.1(5) . . ?
N2 C7 H7 107.2 . . ?
N2 C7 C8 112.7(5) . . ?
C6 C7 H7 107.2 . . ?
C6 C7 C8 109.2(5) . . ?
C8 C7 H7 107.2 . . ?
C7 C8 H8A 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C9 C8 C7 110.3(5) . . ?
C9 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
N1 C9 C8 109.7(5) . . ?
N1 C9 H9 107.8 . . ?
N1 C9 C10 109.5(5) . . ?
C8 C9 H9 107.8 . . ?
C8 C9 C10 114.0(5) . . ?
C10 C9 H9 107.8 . . ?
C11 C10 C9 123.1(7) . . ?
C11 C10 C15 118.2(7) . . ?
C15 C10 C9 118.6(6) . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.4(8) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.1 . . ?
C13 C12 C11 121.8(8) . . ?
C13 C12 H12 119.1 . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.5(8) . . ?
C14 C13 H13 120.7 . . ?
C13 C14 H14 119.2 . . ?
C13 C14 C15 121.7(9) . . ?
C15 C14 H14 119.2 . . ?
C10 C15 C16 116.0(7) . . ?
C14 C15 C10 120.4(8) . . ?
C14 C15 C16 123.6(8) . . ?
C15 C16 H16A 107.7 . . ?
C15 C16 H16B 107.7 . . ?
H16A C16 H16B 107.1 . . ?
C17 C16 C15 118.3(8) . . ?
C17 C16 H16A 107.7 . . ?
C17 C16 H16B 107.7 . . ?
N1 C17 H17A 108.0 . . ?
N1 C17 H17B 108.0 . . ?
C16 C17 N1 117.4(7) . . ?
C16 C17 H17A 108.0 . . ?
C16 C17 H17B 108.0 . . ?
H17A C17 H17B 107.2 . . ?
N2 C18 H18A 111.2 . . ?
N2 C18 H18B 111.2 . . ?
N2 C18 C19 102.6(6) . . ?
H18A C18 H18B 109.2 . . ?
C19 C18 H18A 111.2 . . ?
C19 C18 H18B 111.2 . . ?
O2 C19 C18 105.3(5) . . ?
O2 C19 H19 127.4 . . ?
C18 C19 H19 127.4 . . ?
O1 C20 O2 123.7(7) . . ?
O1 C20 N2 126.7(7) . . ?
O2 C20 N2 109.5(6) . . ?

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
Br1 C4 C5 C6 179.2(5) . . . . ?
N1 C1 C2 C3 179.8(6) . . . . ?
N1 C1 C6 C5 179.5(5) . . . . ?
N1 C1 C6 C7 1.5(9) . . . . ?
N1 C9 C10 C11 -144.9(6) . . . . ?
N1 C9 C10 C15 38.4(8) . . . . ?
N2 C7 C8 C9 -175.7(5) . . . . ?
N2 C18 C19 O2 -7.4(6) . . . . ?
C1 N1 C9 C8 30.5(8) . . . . ?
C1 N1 C9 C10 156.3(5) . . . . ?
C1 N1 C17 C16 171.4(9) . . . . ?
C1 C2 C3 C4 1.8(10) . . . . ?
C1 C6 C7 N2 -155.5(5) . . . . ?
C1 C6 C7 C8 -29.1(7) . . . . ?
C2 C1 C6 C5 0.5(9) . . . . ?
C2 C1 C6 C7 -177.6(5) . . . . ?
C2 C3 C4 Br1 -179.9(5) . . . . ?
C2 C3 C4 C5 -1.6(10) . . . . ?
C3 C4 C5 C6 0.9(10) . . . . ?
C4 C5 C6 C1 -0.3(9) . . . . ?
C4 C5 C6 C7 177.7(5) . . . . ?
C5 C6 C7 N2 26.4(8) . . . . ?
C5 C6 C7 C8 152.8(5) . . . . ?
C6 C1 C2 C3 -1.2(9) . . . . ?
C6 C7 C8 C9 57.7(6) . . . . ?
C7 N2 C18 C19 176.5(5) . . . . ?
C7 N2 C20 O1 4.6(10) . . . . ?
C7 N2 C20 O2 -174.8(5) . . . . ?
C7 C8 C9 N1 -58.4(6) . . . . ?
C7 C8 C9 C10 178.4(5) . . . . ?
C8 C9 C10 C11 -21.6(9) . . . . ?
C8 C9 C10 C15 161.7(6) . . . . ?
C9 N1 C1 C2 177.1(5) . . . . ?
C9 N1 C1 C6 -1.8(9) . . . . ?
C9 N1 C17 C16 11.8(12) . . . . ?
C9 C10 C11 C12 -176.7(7) . . . . ?
C9 C10 C15 C14 177.6(7) . . . . ?
C9 C10 C15 C16 -0.5(11) . . . . ?
C10 C11 C12 C13 -0.6(13) . . . . ?
C10 C15 C16 C17 -36.3(14) . . . . ?
C11 C10 C15 C14 0.7(11) . . . . ?
C11 C10 C15 C16 -177.3(8) . . . . ?
C11 C12 C13 C14 0.4(14) . . . . ?
C12 C13 C14 C15 0.4(14) . . . . ?
C13 C14 C15 C10 -1.0(14) . . . . ?
C13 C14 C15 C16 176.9(10) . . . . ?
C14 C15 C16 C17 145.7(10) . . . . ?
C15 C10 C11 C12 0.0(11) . . . . ?
C15 C16 C17 N1 30.1(15) . . . . ?
C17 N1 C1 C2 18.4(9) . . . . ?
C17 N1 C1 C6 -160.6(6) . . . . ?
C17 N1 C9 C8 -170.2(6) . . . . ?
C17 N1 C9 C10 -44.4(8) . . . . ?
C18 N2 C7 C6 69.8(7) . . . . ?
C18 N2 C7 C8 -54.7(7) . . . . ?
C18 N2 C20 O1 173.2(6) . . . . ?
C18 N2 C20 O2 -6.2(7) . . . . ?
C19 O2 C20 O1 -178.5(6) . . . . ?
C19 O2 C20 N2 0.9(7) . . . . ?
C20 O2 C19 C18 4.3(7) . . . . ?
C20 N2 C7 C6 -123.4(6) . . . . ?
C20 N2 C7 C8 112.2(6) . . . . ?
C20 N2 C18 C19 8.4(6) . . . . ?

_olex2_date_sample_data_collection 2015-05-18
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/n-hexane'
_chemical_properties_physical    Oxygen-sensitive
