# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_exp_4999
_database_code_depnum_ccdc_archive 'CCDC 1443024'
_audit_update_record             
;
2015-12-17 deposited with the CCDC.
2016-02-24 downloaded from the CCDC.
;
_audit_creation_date             2015-12-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_formula_moiety         'C24 H20 Br N3'
_chemical_formula_sum            'C24 H20 Br N3'
_chemical_formula_weight         430.35
_chemical_oxdiff_formula         'C24 H20 N3 Br'
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H 0.00000 0.00000 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
C 0.01920 0.00962 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
Br -0.67402 1.33011 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
N 0.03256 0.01839 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'

_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                   10.1488(5)
_cell_length_b                   17.0478(4)
_cell_length_c                   12.0520(4)
_cell_angle_alpha                90
_cell_angle_beta                 113.032(5)
_cell_angle_gamma                90
_cell_volume                     1918.97(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2547
_cell_measurement_temperature    298
_cell_measurement_theta_max      70.6377
_cell_measurement_theta_min      3.9823
_exptl_absorpt_coefficient_mu    3.020
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.4895
_exptl_crystal_description       block
_exptl_crystal_F_000             879.3894
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6456
_diffrn_reflns_theta_full        70.773526
_diffrn_reflns_theta_max         70.77
_diffrn_reflns_theta_min         3.99
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean 16.1293
_diffrn_measured_fraction_theta_full 1.00000
_diffrn_measured_fraction_theta_max 1.00000
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -30.00   33.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -33.5000   38.0000  -30.0000 63

#__ type_ start__ end____ width___ exp.time_
  2 omega -105.00  -24.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  -12.0000  150.0000 81

#__ type_ start__ end____ width___ exp.time_
  3 omega   35.00  112.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   57.0000   60.0000 77

#__ type_ start__ end____ width___ exp.time_
  4 omega   36.00   96.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000 -125.0000  150.0000 60

#__ type_ start__ end____ width___ exp.time_
  5 omega   33.00   68.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   38.0000 -150.0000 35

#__ type_ start__ end____ width___ exp.time_
  6 omega   84.00  123.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  -90.0000 39

#__ type_ start__ end____ width___ exp.time_
  7 omega   93.00  118.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   38.0000 -150.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega   37.00   94.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  120.0000 57

#__ type_ start__ end____ width___ exp.time_
  9 omega   54.00   79.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  -90.0000 25

#__ type_ start__ end____ width___ exp.time_
 10 omega  145.00  172.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  111.0000  120.0000 27

#__ type_ start__ end____ width___ exp.time_
 11 omega   92.00  122.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   50.0000 -120.0000 30

#__ type_ start__ end____ width___ exp.time_
 12 omega   37.00   68.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  -90.0000 31

#__ type_ start__ end____ width___ exp.time_
 13 omega   59.00   98.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000    0.0000 39

#__ type_ start__ end____ width___ exp.time_
 14 omega   50.00   94.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -180.0000 44

#__ type_ start__ end____ width___ exp.time_
 15 omega   48.00   77.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  -86.0000 29

#__ type_ start__ end____ width___ exp.time_
 16 omega   42.00  134.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000 -180.0000 92
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1212603000
_diffrn_orient_matrix_UB_12      -0.0299729000
_diffrn_orient_matrix_UB_13      0.1155598000
_diffrn_orient_matrix_UB_21      -0.1042149000
_diffrn_orient_matrix_UB_22      -0.0016099000
_diffrn_orient_matrix_UB_23      0.0647911000
_diffrn_orient_matrix_UB_31      -0.0405162000
_diffrn_orient_matrix_UB_32      -0.0851690000
_diffrn_orient_matrix_UB_33      -0.0419865000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              7
_reflns_limit_h_min              -11
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              14
_reflns_limit_l_min              -6
_reflns_number_gt                2534
_reflns_number_total             3237
_reflns_odcompleteness_completeness 89.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.697238
_refine_diff_density_min         -0.990926
_refine_diff_density_rms         0.090414
_refine_ls_d_res_high            0.816459
_refine_ls_d_res_low             9.296911
_refine_ls_goodness_of_fit_ref   1.048534
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    34
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3237
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.066179
_refine_ls_R_factor_gt           0.051770
_refine_ls_restrained_S_all      1.048534
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0733P)²+0.9875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.152190
_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:
 C7(H7a,H7b), C8(H8a,H8b)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C13(H13), C14(H14), C15(H15), C16(H16), C19(H19),
 C22(H22)
2.d Idealised Me refined as rotating group:
 C23(H23a,H23b,H23c), C24(H24a,H24b,H24c)
;
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_refinement_flags_posn
Br1 Br 0.22350(7) 0.00434(3) 0.43971(4) 0.0824(3) Uani 1.000000 .
N1 N 0.4194(3) 0.31997(16) 0.2198(2) 0.0429(7) Uani 1.000000 .
N2 N 0.4475(3) 0.31464(16) 0.3402(2) 0.0396(6) Uani 1.000000 .
N3 N 0.5934(3) 0.33029(17) 0.5825(2) 0.0429(7) Uani 1.000000 .
C1 C 0.3244(5) 0.0906(2) 0.5365(3) 0.0560(10) Uani 1.000000 .
C2 C 0.3048(5) 0.1081(3) 0.6410(4) 0.0691(12) Uani 1.000000 .
H2 H 0.2413(5) 0.0790(3) 0.6631(4) 0.0829(15) Uiso 1.000000 R
C3 C 0.3805(5) 0.1691(3) 0.7117(4) 0.0644(11) Uani 1.000000 .
H3 H 0.3696(5) 0.1800(3) 0.7833(4) 0.0773(14) Uiso 1.000000 R
C4 C 0.4729(4) 0.2152(2) 0.6794(3) 0.0486(9) Uani 1.000000 .
C5 C 0.4870(4) 0.1988(2) 0.5707(3) 0.0425(8) Uani 1.000000 .
C6 C 0.4137(4) 0.1358(2) 0.5004(3) 0.0477(9) Uani 1.000000 .
H6 H 0.4247(4) 0.1241(2) 0.4292(3) 0.0572(11) Uiso 1.000000 R
C7 C 0.5539(5) 0.2815(2) 0.7605(3) 0.0565(10) Uani 1.000000 .
H7a H 0.4873(13) 0.3176(4) 0.773(2) 0.0679(12) Uiso 1.000000 R
H7b H 0.6087(16) 0.2617(9) 0.8409(9) 0.0679(12) Uiso 1.000000 R
C8 C 0.6521(4) 0.3260(2) 0.7139(3) 0.0511(9) Uani 1.000000 .
H8a H 0.7448(12) 0.3003(13) 0.7420(12) 0.0613(11) Uiso 1.000000 R
H8b H 0.667(3) 0.3787(4) 0.7469(11) 0.0613(11) Uiso 1.000000 R
C9 C 0.5844(4) 0.25034(19) 0.5322(3) 0.0411(8) Uani 1.000000 .
H9 H 0.6806(4) 0.22749(19) 0.5660(3) 0.0493(9) Uiso 1.000000 R
C10 C 0.5420(4) 0.25828(18) 0.3992(3) 0.0380(7) Uani 1.000000 .
C11 C 0.5823(4) 0.22171(19) 0.3135(3) 0.0403(8) Uani 1.000000 .
C12 C 0.5023(4) 0.2624(2) 0.2046(3) 0.0429(8) Uani 1.000000 .
C13 C 0.5163(4) 0.2403(2) 0.0961(3) 0.0543(10) Uani 1.000000 .
H13 H 0.4641(4) 0.2655(2) 0.0237(3) 0.0652(12) Uiso 1.000000 R
C14 C 0.6075(5) 0.1816(2) 0.1012(3) 0.0608(11) Uani 1.000000 .
H14 H 0.6180(5) 0.1667(2) 0.0309(3) 0.0729(13) Uiso 1.000000 R
C15 C 0.6881(4) 0.1419(2) 0.2102(4) 0.0565(10) Uani 1.000000 .
H15 H 0.7503(4) 0.1020(2) 0.2094(4) 0.0678(12) Uiso 1.000000 R
C16 C 0.6768(4) 0.1607(2) 0.3165(3) 0.0480(9) Uani 1.000000 .
H16 H 0.7292(4) 0.1342(2) 0.3876(3) 0.0576(10) Uiso 1.000000 R
C17 C 0.3945(4) 0.36964(18) 0.4004(3) 0.0383(7) Uani 1.000000 .
C18 C 0.4722(4) 0.37739(19) 0.5250(3) 0.0379(7) Uani 1.000000 .
C19 C 0.4290(4) 0.43701(19) 0.5825(3) 0.0428(8) Uani 1.000000 .
H19 H 0.4800(4) 0.44520(19) 0.6645(3) 0.0514(10) Uiso 1.000000 R
C20 C 0.3119(4) 0.48463(19) 0.5206(3) 0.0449(9) Uani 1.000000 .
C21 C 0.2322(4) 0.4736(2) 0.3972(3) 0.0465(8) Uani 1.000000 .
C22 C 0.2765(4) 0.4155(2) 0.3385(3) 0.0443(8) Uani 1.000000 .
H22 H 0.2258(4) 0.4073(2) 0.2564(3) 0.0531(10) Uiso 1.000000 R
C23 C 0.1029(5) 0.5227(2) 0.3280(4) 0.0650(11) Uani 1.000000 .
H23a H 0.0299(13) 0.5135(14) 0.3584(19) 0.0975(17) Uiso 1.000000 GR
H23b H 0.1290(9) 0.5772(3) 0.337(2) 0.0975(17) Uiso 1.000000 GR
H23c H 0.067(2) 0.5089(13) 0.2441(6) 0.0975(17) Uiso 1.000000 GR
C24 C 0.2713(5) 0.5484(2) 0.5887(4) 0.0587(11) Uani 1.000000 .
H24a H 0.1805(15) 0.5361(9) 0.592(2) 0.0880(16) Uiso 1.000000 GR
H24b H 0.3429(16) 0.5518(11) 0.6692(9) 0.0880(16) Uiso 1.000000 GR
H24c H 0.265(3) 0.5976(4) 0.5483(15) 0.0880(16) Uiso 1.000000 GR


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 C1 1.907(4) . ?
N1 N2 1.368(3) . ?
N1 C12 1.351(4) . ?
N2 C10 1.347(4) . ?
N2 C17 1.414(4) . ?
N3 C8 1.459(4) . ?
N3 C9 1.480(4) . ?
N3 C18 1.404(4) . ?
C1 C2 1.383(5) . ?
C1 C6 1.383(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.390(5) . ?
C4 C5 1.401(4) . ?
C4 C7 1.510(5) . ?
C5 C6 1.390(5) . ?
C5 C9 1.524(5) . ?
C6 H6 0.9300 . ?
C7 H7a 0.9700 . ?
C7 H7b 0.9700 . ?
C7 C8 1.524(5) . ?
C8 H8a 0.9700 . ?
C8 H8b 0.9700 . ?
C9 H9 0.9800 . ?
C9 C10 1.495(4) . ?
C10 C11 1.398(4) . ?
C11 C12 1.424(5) . ?
C11 C16 1.405(5) . ?
C12 C13 1.421(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.348(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.419(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.368(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.403(4) . ?
C17 C22 1.379(4) . ?
C18 C19 1.394(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.391(5) . ?
C20 C21 1.401(5) . ?
C20 C24 1.512(5) . ?
C21 C22 1.390(5) . ?
C21 C23 1.505(5) . ?
C22 H22 0.9300 . ?
C23 H23a 0.9600 . ?
C23 H23b 0.9600 . ?
C23 H23c 0.9600 . ?
C24 H24a 0.9600 . ?
C24 H24b 0.9600 . ?
C24 H24c 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
C12 N1 N2 102.3(3) . . ?
C10 N2 N1 114.6(3) . . ?
C17 N2 N1 122.4(3) . . ?
C17 N2 C10 122.5(3) . . ?
C9 N3 C8 109.4(3) . . ?
C18 N3 C8 118.1(3) . . ?
C18 N3 C9 115.0(3) . . ?
C2 C1 Br1 119.3(3) . . ?
C6 C1 Br1 119.9(3) . . ?
C6 C1 C2 120.8(4) . . ?
H2 C2 C1 120.5(3) . . ?
C3 C2 C1 118.9(4) . . ?
C3 C2 H2 120.5(2) . . ?
H3 C3 C2 119.0(2) . . ?
C4 C3 C2 121.9(4) . . ?
C4 C3 H3 119.0(2) . . ?
C5 C4 C3 118.4(4) . . ?
C7 C4 C3 119.9(3) . . ?
C7 C4 C5 121.7(3) . . ?
C6 C5 C4 119.9(3) . . ?
C9 C5 C4 119.1(3) . . ?
C9 C5 C6 121.1(3) . . ?
C5 C6 C1 120.0(3) . . ?
H6 C6 C1 120.0(2) . . ?
H6 C6 C5 120.0(2) . . ?
H7a C7 C4 109.9(8) . . ?
H7b C7 C4 109.9(8) . . ?
H7b C7 H7a 103(3) . . ?
C8 C7 C4 113.8(3) . . ?
C8 C7 H7a 109.9(8) . . ?
C8 C7 H7b 109.9(7) . . ?
C7 C8 N3 112.1(3) . . ?
H8a C8 N3 109.3(8) . . ?
H8a C8 C7 109.3(8) . . ?
H8b C8 N3 109.3(8) . . ?
H8b C8 C7 109.3(8) . . ?
H8b C8 H8a 107(3) . . ?
C5 C9 N3 110.5(3) . . ?
H9 C9 N3 107.69(18) . . ?
H9 C9 C5 107.69(18) . . ?
C10 C9 N3 107.6(3) . . ?
C10 C9 C5 115.5(3) . . ?
C10 C9 H9 107.69(19) . . ?
C9 C10 N2 118.5(3) . . ?
C11 C10 N2 106.4(3) . . ?
C11 C10 C9 135.0(3) . . ?
C12 C11 C10 103.7(3) . . ?
C16 C11 C10 134.8(3) . . ?
C16 C11 C12 121.5(3) . . ?
C11 C12 N1 113.0(3) . . ?
C13 C12 N1 127.5(3) . . ?
C13 C12 C11 119.5(3) . . ?
H13 C13 C12 121.0(2) . . ?
C14 C13 C12 117.9(4) . . ?
C14 C13 H13 121.0(2) . . ?
H14 C14 C13 118.9(2) . . ?
C15 C14 C13 122.3(3) . . ?
C15 C14 H14 118.9(2) . . ?
H15 C15 C14 119.1(2) . . ?
C16 C15 C14 121.7(4) . . ?
C16 C15 H15 119.1(2) . . ?
C15 C16 C11 117.1(4) . . ?
H16 C16 C11 121.5(2) . . ?
H16 C16 C15 121.5(2) . . ?
C18 C17 N2 116.4(3) . . ?
C22 C17 N2 121.5(3) . . ?
C22 C17 C18 122.0(3) . . ?
C17 C18 N3 119.4(3) . . ?
C19 C18 N3 123.9(3) . . ?
C19 C18 C17 116.5(3) . . ?
H19 C19 C18 119.1(2) . . ?
C20 C19 C18 121.9(3) . . ?
C20 C19 H19 119.1(2) . . ?
C21 C20 C19 120.5(3) . . ?
C24 C20 C19 119.1(4) . . ?
C24 C20 C21 120.4(3) . . ?
C22 C21 C20 118.0(3) . . ?
C23 C21 C20 122.0(3) . . ?
C23 C21 C22 120.0(3) . . ?
C21 C22 C17 120.9(3) . . ?
H22 C22 C17 119.53(19) . . ?
H22 C22 C21 119.5(2) . . ?
H23a C23 C21 109.5 . . ?
H23b C23 C21 109.5 . . ?
H23b C23 H23a 109.5 . . ?
H23c C23 C21 109.5 . . ?
H23c C23 H23a 109.5 . . ?
H23c C23 H23b 109.5 . . ?
H24a C24 C20 109.5 . . ?
H24b C24 C20 109.5 . . ?
H24b C24 H24a 109.5 . . ?
H24c C24 C20 109.5 . . ?
H24c C24 H24a 109.5 . . ?
H24c C24 H24b 109.5 . . ?

_olex2_date_sample_data_collection 1431181998.71
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_name_systematic        
2-Bromo-9,10-dimethyl-6,17c-dihydro-5H-indazolo[2,3-a]isoquinolino[1,2-c]quinoxaline
_chemical_melting_point          483
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Chloroform'
