# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_121126b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H23 Br N2 O3'
_chemical_formula_weight         491.37

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8296(15)
_cell_length_b                   10.2016(16)
_cell_length_c                   12.6394(19)
_cell_angle_alpha                78.083(2)
_cell_angle_beta                 70.581(2)
_cell_angle_gamma                70.890(2)
_cell_volume                     1122.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1486
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      20.61

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             504
_exptl_absorpt_coefficient_mu    1.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2769
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8581
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_av_sigmaI/netI    0.2026
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3900
_reflns_number_gt                2390
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker apex II'
_computing_cell_refinement       'Bruker apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3900
_refine_ls_number_parameters     290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0596
_refine_ls_wR_factor_ref         0.2265
_refine_ls_wR_factor_gt          0.1702
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_restrained_S_all      0.929
_refine_ls_shift/su_max          0.126
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N -0.0522(5) 0.8601(4) 0.8253(4) 0.0519(12) Uani 1 1 d . . .
N2 N 0.0393(5) 0.7234(4) 0.9539(4) 0.0483(12) Uani 1 1 d . . .
O1 O 0.1710(6) 0.7262(5) 0.5756(5) 0.0887(16) Uani 1 1 d . . .
O2 O -0.0500(7) 1.1993(5) 0.6655(5) 0.0927(17) Uani 1 1 d . . .
O3 O 0.2365(5) 0.7403(4) 1.0574(4) 0.0707(13) Uani 1 1 d . . .
Br1 Br 0.24258(7) 0.38483(5) 0.78174(6) 0.0678(4) Uani 1 1 d . . .
C1 C 0.0369(6) 0.7353(5) 0.8472(6) 0.0500(14) Uani 1 1 d . . .
H1 H 0.0885 0.6679 0.7973 0.060 Uiso 1 1 calc R . .
C2 C -0.1056(7) 0.9311(5) 0.9170(6) 0.0603(17) Uani 1 1 d . . .
H2 H -0.1680 1.0220 0.9220 0.072 Uiso 1 1 calc R . .
C3 C -0.0508(7) 0.8442(5) 1.0016(5) 0.0557(15) Uani 1 1 d . . .
H3 H -0.0704 0.8629 1.0750 0.067 Uiso 1 1 calc R . .
C4 C 0.0439(7) 0.9566(6) 0.6303(6) 0.0592(16) Uani 1 1 d . . .
C5 C 0.1640(8) 0.8644(7) 0.5655(6) 0.0686(19) Uani 1 1 d . . .
C6 C 0.2882(9) 0.8990(10) 0.4866(7) 0.083(2) Uani 1 1 d . . .
C7 C 0.2942(10) 1.0352(11) 0.4691(7) 0.091(3) Uani 1 1 d . . .
H7 H 0.3748 1.0614 0.4156 0.109 Uiso 1 1 calc R . .
C8 C 0.1771(10) 1.1323(9) 0.5330(7) 0.078(2) Uani 1 1 d . . .
C9 C 0.0583(8) 1.0930(7) 0.6079(6) 0.0653(17) Uani 1 1 d . . .
C10 C 0.3113(12) 0.6581(11) 0.5001(10) 0.124(4) Uani 1 1 d . . .
H10A H 0.2933 0.6142 0.4468 0.148 Uiso 1 1 calc R . .
H10B H 0.3722 0.5866 0.5423 0.148 Uiso 1 1 calc R . .
C11 C 0.3921(12) 0.7683(12) 0.4376(10) 0.135(5) Uani 1 1 d . . .
H11A H 0.4891 0.7461 0.4512 0.162 Uiso 1 1 calc R . .
H11B H 0.4065 0.7767 0.3570 0.162 Uiso 1 1 calc R . .
C12 C -0.0006(14) 1.3244(9) 0.6241(10) 0.115(3) Uani 1 1 d . . .
H12A H 0.0132 1.3584 0.6850 0.137 Uiso 1 1 calc R . .
H12B H -0.0754 1.3969 0.5944 0.137 Uiso 1 1 calc R . .
C13 C 0.1445(14) 1.2892(10) 0.5333(9) 0.114(3) Uani 1 1 d . . .
H13A H 0.2232 1.3106 0.5508 0.137 Uiso 1 1 calc R . .
H13B H 0.1341 1.3392 0.4610 0.137 Uiso 1 1 calc R . .
C14 C -0.0845(7) 0.9144(7) 0.7158(6) 0.0614(17) Uani 1 1 d . . .
H14A H -0.1730 0.9941 0.7260 0.074 Uiso 1 1 calc R . .
H14B H -0.1058 0.8429 0.6888 0.074 Uiso 1 1 calc R . .
C15 C 0.3258(6) 0.4972(6) 1.1094(5) 0.0524(15) Uani 1 1 d . . .
C16 C 0.3409(6) 0.3645(5) 1.0924(5) 0.0499(14) Uani 1 1 d . . .
H16 H 0.2860 0.3510 1.0502 0.060 Uiso 1 1 calc R . .
C17 C 0.4582(7) 0.1087(6) 1.1184(6) 0.0634(18) Uani 1 1 d . . .
H17 H 0.4034 0.0938 1.0767 0.076 Uiso 1 1 calc R . .
C18 C 0.5547(8) -0.0019(7) 1.1592(7) 0.072(2) Uani 1 1 d . . .
H18 H 0.5673 -0.0913 1.1442 0.087 Uiso 1 1 calc R . .
C19 C 0.6354(8) 0.0182(8) 1.2237(7) 0.078(2) Uani 1 1 d . . .
H19 H 0.6999 -0.0582 1.2534 0.093 Uiso 1 1 calc R . .
C20 C 0.6200(7) 0.1495(8) 1.2435(6) 0.073(2) Uani 1 1 d . . .
H20 H 0.6764 0.1613 1.2852 0.088 Uiso 1 1 calc R . .
C21 C 0.5032(8) 0.4031(7) 1.2196(6) 0.0717(19) Uani 1 1 d . . .
H21 H 0.5551 0.4173 1.2639 0.086 Uiso 1 1 calc R . .
C22 C 0.4106(8) 0.5176(7) 1.1730(6) 0.0681(18) Uani 1 1 d . . .
H22 H 0.4040 0.6074 1.1832 0.082 Uiso 1 1 calc R . .
C23 C 0.4380(6) 0.2472(6) 1.1374(5) 0.0495(14) Uani 1 1 d . . .
C24 C 0.5208(6) 0.2679(6) 1.2022(5) 0.0558(15) Uani 1 1 d . . .
C25 C 0.2279(6) 0.6242(5) 1.0591(5) 0.0506(14) Uani 1 1 d . . .
C26 C 0.1191(6) 0.5975(5) 1.0116(5) 0.0503(14) Uani 1 1 d . . .
H26A H 0.1735 0.5281 0.9589 0.060 Uiso 1 1 calc R . .
H26B H 0.0466 0.5598 1.0724 0.060 Uiso 1 1 calc R . .


_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
N1 C1 1.323(6) . ?
N1 C2 1.355(8) . ?
N1 C14 1.478(8) . ?
N2 C1 1.337(7) . ?
N2 C3 1.380(7) . ?
N2 C26 1.460(6) . ?
O1 C5 1.370(8) . ?
O1 C10 1.437(11) . ?
O2 C9 1.376(8) . ?
O2 C12 1.449(11) . ?
O3 C25 1.210(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.377(9) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.377(10) . ?
C4 C9 1.406(9) . ?
C4 C14 1.484(9) . ?
C5 C6 1.392(11) . ?
C6 C7 1.378(13) . ?
C6 C11 1.495(13) . ?
C7 C8 1.387(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.355(11) . ?
C8 C13 1.526(12) . ?
C10 C11 1.523(17) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.492(15) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.366(7) . ?
C15 C22 1.419(9) . ?
C15 C25 1.502(8) . ?
C16 C23 1.414(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.350(8) . ?
C17 C23 1.421(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.393(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.364(10) . ?
C19 H19 0.9300 . ?
C20 C24 1.410(8) . ?
C20 H20 0.9300 . ?
C21 C24 1.387(9) . ?
C21 C22 1.385(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.416(8) . ?
C25 C26 1.505(8) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?

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
C1 N1 C2 109.9(5) . . ?
C1 N1 C14 124.6(5) . . ?
C2 N1 C14 125.5(5) . . ?
C1 N2 C3 109.7(4) . . ?
C1 N2 C26 124.2(4) . . ?
C3 N2 C26 125.9(5) . . ?
C5 O1 C10 107.6(8) . . ?
C9 O2 C12 107.2(8) . . ?
N1 C1 N2 107.6(5) . . ?
N1 C1 H1 126.2 . . ?
N2 C1 H1 126.2 . . ?
N1 C2 C3 107.5(5) . . ?
N1 C2 H2 126.2 . . ?
C3 C2 H2 126.2 . . ?
C2 C3 N2 105.1(5) . . ?
C2 C3 H3 127.4 . . ?
N2 C3 H3 127.4 . . ?
C5 C4 C9 112.7(7) . . ?
C5 C4 C14 123.1(6) . . ?
C9 C4 C14 124.2(6) . . ?
O1 C5 C4 121.4(7) . . ?
O1 C5 C6 113.7(7) . . ?
C4 C5 C6 124.9(7) . . ?
C7 C6 C5 119.1(8) . . ?
C7 C6 C11 133.6(9) . . ?
C5 C6 C11 107.3(9) . . ?
C6 C7 C8 118.5(8) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
C9 C8 C7 119.8(8) . . ?
C9 C8 C13 107.5(8) . . ?
C7 C8 C13 132.5(9) . . ?
C8 C9 O2 114.0(7) . . ?
C8 C9 C4 124.9(7) . . ?
O2 C9 C4 121.1(7) . . ?
O1 C10 C11 107.9(8) . . ?
O1 C10 H10A 110.1 . . ?
C11 C10 H10A 110.1 . . ?
O1 C10 H10B 110.1 . . ?
C11 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
C6 C11 C10 103.4(8) . . ?
C6 C11 H11A 111.1 . . ?
C10 C11 H11A 111.1 . . ?
C6 C11 H11B 111.1 . . ?
C10 C11 H11B 111.1 . . ?
H11A C11 H11B 109.0 . . ?
O2 C12 C13 108.2(8) . . ?
O2 C12 H12A 110.1 . . ?
C13 C12 H12A 110.1 . . ?
O2 C12 H12B 110.1 . . ?
C13 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
C12 C13 C8 102.9(8) . . ?
C12 C13 H13A 111.2 . . ?
C8 C13 H13A 111.2 . . ?
C12 C13 H13B 111.2 . . ?
C8 C13 H13B 111.2 . . ?
H13A C13 H13B 109.1 . . ?
N1 C14 C4 111.5(5) . . ?
N1 C14 H14A 109.3 . . ?
C4 C14 H14A 109.3 . . ?
N1 C14 H14B 109.3 . . ?
C4 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C22 119.1(5) . . ?
C16 C15 C25 122.9(5) . . ?
C22 C15 C25 118.0(5) . . ?
C15 C16 C23 121.6(5) . . ?
C15 C16 H16 119.2 . . ?
C23 C16 H16 119.2 . . ?
C18 C17 C23 121.8(6) . . ?
C18 C17 H17 119.1 . . ?
C23 C17 H17 119.1 . . ?
C17 C18 C19 119.9(7) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 120.3(6) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C24 121.7(6) . . ?
C19 C20 H20 119.2 . . ?
C24 C20 H20 119.2 . . ?
C24 C21 C22 121.8(6) . . ?
C24 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
C21 C22 C15 119.6(6) . . ?
C21 C22 H22 120.2 . . ?
C15 C22 H22 120.2 . . ?
C24 C23 C16 119.1(5) . . ?
C24 C23 C17 118.4(5) . . ?
C16 C23 C17 122.5(5) . . ?
C21 C24 C23 118.7(5) . . ?
C21 C24 C20 123.3(6) . . ?
C23 C24 C20 118.0(6) . . ?
O3 C25 C26 122.4(5) . . ?
O3 C25 C15 121.8(5) . . ?
C26 C25 C15 115.7(4) . . ?
N2 C26 C25 112.6(4) . . ?
N2 C26 H26A 109.1 . . ?
C25 C26 H26A 109.1 . . ?
N2 C26 H26B 109.1 . . ?
C25 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?

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
C2 N1 C1 N2 1.2(6) . . . . ?
C14 N1 C1 N2 179.7(5) . . . . ?
C3 N2 C1 N1 0.0(6) . . . . ?
C26 N2 C1 N1 176.7(5) . . . . ?
C1 N1 C2 C3 -2.0(7) . . . . ?
C14 N1 C2 C3 179.5(5) . . . . ?
N1 C2 C3 N2 1.9(7) . . . . ?
C1 N2 C3 C2 -1.2(6) . . . . ?
C26 N2 C3 C2 -177.8(5) . . . . ?
C10 O1 C5 C4 -178.0(7) . . . . ?
C10 O1 C5 C6 1.2(9) . . . . ?
C9 C4 C5 O1 179.6(5) . . . . ?
C14 C4 C5 O1 0.8(10) . . . . ?
C9 C4 C5 C6 0.5(9) . . . . ?
C14 C4 C5 C6 -178.3(6) . . . . ?
O1 C5 C6 C7 -179.9(6) . . . . ?
C4 C5 C6 C7 -0.8(11) . . . . ?
O1 C5 C6 C11 -0.2(9) . . . . ?
C4 C5 C6 C11 178.9(8) . . . . ?
C5 C6 C7 C8 1.5(11) . . . . ?
C11 C6 C7 C8 -178.1(10) . . . . ?
C6 C7 C8 C9 -2.1(11) . . . . ?
C6 C7 C8 C13 -177.5(9) . . . . ?
C7 C8 C9 O2 -179.8(6) . . . . ?
C13 C8 C9 O2 -3.4(9) . . . . ?
C7 C8 C9 C4 2.1(11) . . . . ?
C13 C8 C9 C4 178.5(7) . . . . ?
C12 O2 C9 C8 1.0(9) . . . . ?
C12 O2 C9 C4 179.2(7) . . . . ?
C5 C4 C9 C8 -1.2(10) . . . . ?
C14 C4 C9 C8 177.6(7) . . . . ?
C5 C4 C9 O2 -179.2(6) . . . . ?
C14 C4 C9 O2 -0.4(10) . . . . ?
C5 O1 C10 C11 -1.6(10) . . . . ?
C7 C6 C11 C10 178.9(9) . . . . ?
C5 C6 C11 C10 -0.8(11) . . . . ?
O1 C10 C11 C6 1.5(12) . . . . ?
C9 O2 C12 C13 1.9(10) . . . . ?
O2 C12 C13 C8 -3.7(11) . . . . ?
C9 C8 C13 C12 4.2(10) . . . . ?
C7 C8 C13 C12 -180.0(9) . . . . ?
C1 N1 C14 C4 -75.6(7) . . . . ?
C2 N1 C14 C4 102.6(7) . . . . ?
C5 C4 C14 N1 85.0(8) . . . . ?
C9 C4 C14 N1 -93.7(7) . . . . ?
C22 C15 C16 C23 0.5(10) . . . . ?
C25 C15 C16 C23 177.7(6) . . . . ?
C23 C17 C18 C19 1.3(12) . . . . ?
C17 C18 C19 C20 -1.6(12) . . . . ?
C18 C19 C20 C24 1.5(12) . . . . ?
C24 C21 C22 C15 2.7(11) . . . . ?
C16 C15 C22 C21 -2.1(11) . . . . ?
C25 C15 C22 C21 -179.4(6) . . . . ?
C15 C16 C23 C24 0.4(9) . . . . ?
C15 C16 C23 C17 -178.4(6) . . . . ?
C18 C17 C23 C24 -0.8(10) . . . . ?
C18 C17 C23 C16 178.0(7) . . . . ?
C22 C21 C24 C23 -1.8(11) . . . . ?
C22 C21 C24 C20 176.6(7) . . . . ?
C16 C23 C24 C21 0.2(9) . . . . ?
C17 C23 C24 C21 179.0(6) . . . . ?
C16 C23 C24 C20 -178.2(6) . . . . ?
C17 C23 C24 C20 0.6(9) . . . . ?
C19 C20 C24 C21 -179.3(7) . . . . ?
C19 C20 C24 C23 -1.0(11) . . . . ?
C16 C15 C25 O3 -166.3(6) . . . . ?
C22 C15 C25 O3 10.9(10) . . . . ?
C16 C15 C25 C26 13.9(9) . . . . ?
C22 C15 C25 C26 -169.0(6) . . . . ?
C1 N2 C26 C25 124.7(6) . . . . ?
C3 N2 C26 C25 -59.2(8) . . . . ?
O3 C25 C26 N2 6.1(9) . . . . ?
C15 C25 C26 N2 -174.0(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.093
_database_code_depnum_ccdc_archive 'CCDC 941506'
