# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_1
#TrackingRef '19625_web_deposit_cif_file_0_yin,guodong_1366354867.1.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H17 Br N0 O2'
_chemical_formula_sum            'C25 H17 Br N0 O2'
_chemical_formula_weight         429.30

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  -P1

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

_cell_length_a                   9.401(5)
_cell_length_b                   10.600(6)
_cell_length_c                   10.800(6)
_cell_angle_alpha                107.790(6)
_cell_angle_beta                 95.207(7)
_cell_angle_gamma                106.667(7)
_cell_volume                     962.8(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2463
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      25.89

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             436
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5550
_exptl_absorpt_correction_T_max  0.5741
_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            5426
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3333
_reflns_number_gt                2703
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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 F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0715P)^2^+1.1422P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3333
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1352
_refine_ls_wR_factor_gt          0.1276
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Br1 Br 0.28400(6) 0.41763(4) 0.05686(5) 0.0665(2) Uani 1 1 d . . .
C1 C 0.0921(5) 0.7650(5) -0.1726(4) 0.0505(10) Uani 1 1 d . . .
H1 H 0.0274 0.7126 -0.1327 0.061 Uiso 1 1 calc R . .
C2 C 0.0795(6) 0.7129(5) -0.3092(5) 0.0632(12) Uani 1 1 d . . .
H2 H 0.0095 0.6265 -0.3620 0.076 Uiso 1 1 calc R . .
C3 C 0.1835(7) 0.8028(8) -0.3651(5) 0.0778(19) Uani 1 1 d . . .
H3 H 0.1751 0.7706 -0.4567 0.093 Uiso 1 1 calc R . .
C4 C 0.2730(5) 0.9075(5) -0.3072(4) 0.0429(9) Uani 1 1 d . . .
H4 H 0.3342 0.9553 -0.3526 0.051 Uiso 1 1 calc R . .
C5 C 0.2964(5) 0.9725(5) -0.1583(4) 0.0466(9) Uani 1 1 d . . .
C6 C 0.1993(4) 0.8940(4) -0.0934(4) 0.0387(8) Uani 1 1 d . . .
C7 C 0.2173(4) 0.9534(4) 0.0481(3) 0.0358(8) Uani 1 1 d . . .
C8 C 0.3287(4) 1.0789(4) 0.1158(4) 0.0377(8) Uani 1 1 d . . .
C9 C 0.4258(4) 1.1544(4) 0.0519(4) 0.0440(9) Uani 1 1 d . . .
H9 H 0.5013 1.2390 0.1009 0.053 Uiso 1 1 calc R . .
C10 C 0.4077(5) 1.1018(4) -0.0828(4) 0.0489(10) Uani 1 1 d . . .
H10 H 0.4702 1.1524 -0.1255 0.059 Uiso 1 1 calc R . .
C11 C 0.2564(4) 1.2092(4) 0.4455(4) 0.0411(8) Uani 1 1 d . . .
C12 C 0.3034(5) 1.3454(4) 0.4464(4) 0.0526(10) Uani 1 1 d . . .
H12 H 0.3397 1.3639 0.3743 0.063 Uiso 1 1 calc R . .
C13 C 0.2972(6) 1.4551(5) 0.5534(5) 0.0673(13) Uani 1 1 d . . .
H13 H 0.3296 1.5463 0.5526 0.081 Uiso 1 1 calc R . .
C14 C 0.2437(6) 1.4297(5) 0.6600(5) 0.0733(14) Uani 1 1 d . . .
H14 H 0.2381 1.5032 0.7311 0.088 Uiso 1 1 calc R . .
C15 C 0.1980(6) 1.2941(5) 0.6614(5) 0.0720(14) Uani 1 1 d . . .
H15 H 0.1632 1.2766 0.7345 0.086 Uiso 1 1 calc R . .
C16 C 0.2038(5) 1.1845(5) 0.5545(4) 0.0574(11) Uani 1 1 d . . .
H16 H 0.1720 1.0934 0.5558 0.069 Uiso 1 1 calc R . .
C17 C 0.2576(4) 1.0870(4) 0.3286(3) 0.0370(8) Uani 1 1 d . . .
C18 C 0.1014(4) 0.9959(4) 0.2440(4) 0.0384(8) Uani 1 1 d . . .
H18A H 0.0538 1.0522 0.2109 0.046 Uiso 1 1 calc R . .
H18B H 0.0373 0.9542 0.2965 0.046 Uiso 1 1 calc R . .
C19 C 0.1229(4) 0.8809(4) 0.1284(3) 0.0350(7) Uani 1 1 d . . .
H19 H 0.0245 0.8172 0.0735 0.042 Uiso 1 1 calc R . .
C20 C 0.2063(4) 0.8006(4) 0.1825(3) 0.0349(7) Uani 1 1 d . . .
C21 C 0.3020(4) 0.8674(4) 0.3069(3) 0.0355(8) Uani 1 1 d . . .
C22 C 0.3842(4) 0.7999(4) 0.3592(4) 0.0433(9) Uani 1 1 d . . .
H22 H 0.4443 0.8451 0.4437 0.052 Uiso 1 1 calc R . .
C23 C 0.3771(5) 0.6663(4) 0.2864(4) 0.0460(9) Uani 1 1 d . . .
H23 H 0.4330 0.6211 0.3211 0.055 Uiso 1 1 calc R . .
C24 C 0.2868(4) 0.5995(4) 0.1619(4) 0.0424(8) Uani 1 1 d . . .
C25 C 0.1995(4) 0.6642(4) 0.1104(4) 0.0396(8) Uani 1 1 d . . .
H25 H 0.1363 0.6166 0.0275 0.047 Uiso 1 1 calc R . .
O1 O 0.3585(3) 1.1411(3) 0.2526(3) 0.0457(6) Uani 1 1 d . . .
O2 O 0.3221(3) 1.0039(3) 0.3847(2) 0.0445(6) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Br1 0.0778(4) 0.0375(3) 0.0754(4) 0.0056(2) 0.0114(2) 0.0222(2)
C1 0.053(2) 0.060(3) 0.045(2) 0.019(2) 0.0085(18) 0.028(2)
C2 0.067(3) 0.067(3) 0.052(3) 0.009(2) 0.000(2) 0.034(2)
C3 0.108(5) 0.149(6) 0.040(3) 0.058(4) 0.047(3) 0.099(5)
C4 0.053(2) 0.070(3) 0.033(2) 0.036(2) 0.0255(19) 0.036(2)
C5 0.052(2) 0.062(3) 0.048(2) 0.031(2) 0.0198(18) 0.037(2)
C6 0.0410(19) 0.045(2) 0.0403(19) 0.0179(17) 0.0075(16) 0.0268(17)
C7 0.0356(18) 0.042(2) 0.0396(19) 0.0199(16) 0.0096(15) 0.0213(15)
C8 0.0362(18) 0.0397(19) 0.046(2) 0.0172(17) 0.0118(15) 0.0213(16)
C9 0.042(2) 0.038(2) 0.062(3) 0.0240(18) 0.0187(18) 0.0186(16)
C10 0.053(2) 0.052(2) 0.063(3) 0.036(2) 0.027(2) 0.028(2)
C11 0.0402(19) 0.0373(19) 0.048(2) 0.0119(17) 0.0071(16) 0.0197(16)
C12 0.060(3) 0.042(2) 0.058(3) 0.017(2) 0.013(2) 0.0206(19)
C13 0.076(3) 0.034(2) 0.088(4) 0.012(2) 0.012(3) 0.023(2)
C14 0.078(3) 0.051(3) 0.076(3) -0.006(2) 0.020(3) 0.029(2)
C15 0.090(4) 0.058(3) 0.061(3) 0.007(2) 0.033(3) 0.023(3)
C16 0.072(3) 0.043(2) 0.056(3) 0.014(2) 0.024(2) 0.019(2)
C17 0.0371(18) 0.0362(19) 0.042(2) 0.0151(16) 0.0094(15) 0.0169(15)
C18 0.0351(18) 0.0397(19) 0.045(2) 0.0177(16) 0.0106(15) 0.0154(15)
C19 0.0310(17) 0.0359(18) 0.0365(18) 0.0124(15) 0.0038(14) 0.0098(14)
C20 0.0378(18) 0.0317(18) 0.0375(19) 0.0156(15) 0.0099(15) 0.0105(14)
C21 0.0417(19) 0.0321(18) 0.0354(18) 0.0129(15) 0.0089(15) 0.0147(15)
C22 0.053(2) 0.043(2) 0.038(2) 0.0167(17) 0.0065(17) 0.0209(18)
C23 0.057(2) 0.041(2) 0.053(2) 0.0243(19) 0.0150(19) 0.0255(18)
C24 0.052(2) 0.0301(18) 0.049(2) 0.0154(16) 0.0154(18) 0.0143(16)
C25 0.044(2) 0.0339(19) 0.0370(19) 0.0113(16) 0.0082(16) 0.0079(15)
O1 0.0411(14) 0.0450(15) 0.0428(14) 0.0092(12) 0.0103(11) 0.0079(11)
O2 0.0573(16) 0.0373(14) 0.0384(14) 0.0061(11) -0.0028(12) 0.0262(12)

_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 C24 1.906(4) . ?
C1 C2 1.388(6) . ?
C1 C6 1.398(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.468(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.129(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.510(6) . ?
C4 H4 0.9300 . ?
C5 C10 1.407(6) . ?
C5 C6 1.432(5) . ?
C6 C7 1.437(5) . ?
C7 C8 1.367(5) . ?
C7 C19 1.513(5) . ?
C8 O1 1.386(4) . ?
C8 C9 1.408(5) . ?
C9 C10 1.364(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.380(5) . ?
C11 C16 1.385(6) . ?
C11 C17 1.511(5) . ?
C12 C13 1.385(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.367(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.384(6) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 O1 1.421(4) . ?
C17 O2 1.441(4) . ?
C17 C18 1.526(5) . ?
C18 C19 1.530(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.512(5) . ?
C19 H19 0.9800 . ?
C20 C25 1.396(5) . ?
C20 C21 1.396(5) . ?
C21 O2 1.381(4) . ?
C21 C22 1.383(5) . ?
C22 C23 1.373(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.377(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.388(5) . ?
C25 H25 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
C2 C1 C6 121.9(4) . . ?
C2 C1 H1 119.1 . . ?
C6 C1 H1 119.1 . . ?
C1 C2 C3 115.8(5) . . ?
C1 C2 H2 122.1 . . ?
C3 C2 H2 122.1 . . ?
C4 C3 C2 126.0(5) . . ?
C4 C3 H3 117.0 . . ?
C2 C3 H3 117.0 . . ?
C3 C4 C5 122.2(4) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
C10 C5 C6 119.8(4) . . ?
C10 C5 C4 123.7(4) . . ?
C6 C5 C4 116.5(4) . . ?
C1 C6 C5 117.6(3) . . ?
C1 C6 C7 124.4(3) . . ?
C5 C6 C7 118.0(3) . . ?
C8 C7 C6 119.3(3) . . ?
C8 C7 C19 117.4(3) . . ?
C6 C7 C19 123.2(3) . . ?
C7 C8 O1 123.3(3) . . ?
C7 C8 C9 122.5(3) . . ?
O1 C8 C9 114.2(3) . . ?
C10 C9 C8 119.1(4) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C9 C10 C5 121.2(4) . . ?
C9 C10 H10 119.4 . . ?
C5 C10 H10 119.4 . . ?
C12 C11 C16 118.5(4) . . ?
C12 C11 C17 122.0(4) . . ?
C16 C11 C17 119.5(3) . . ?
C11 C12 C13 120.9(4) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.6(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 120.1(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 120.6(4) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
O1 C17 O2 107.7(3) . . ?
O1 C17 C11 107.9(3) . . ?
O2 C17 C11 105.4(3) . . ?
O1 C17 C18 111.8(3) . . ?
O2 C17 C18 109.4(3) . . ?
C11 C17 C18 114.2(3) . . ?
C17 C18 C19 107.6(3) . . ?
C17 C18 H18A 110.2 . . ?
C19 C18 H18A 110.2 . . ?
C17 C18 H18B 110.2 . . ?
C19 C18 H18B 110.2 . . ?
H18A C18 H18B 108.5 . . ?
C20 C19 C7 109.7(3) . . ?
C20 C19 C18 109.2(3) . . ?
C7 C19 C18 107.0(3) . . ?
C20 C19 H19 110.3 . . ?
C7 C19 H19 110.3 . . ?
C18 C19 H19 110.3 . . ?
C25 C20 C21 117.8(3) . . ?
C25 C20 C19 123.0(3) . . ?
C21 C20 C19 119.1(3) . . ?
O2 C21 C22 115.8(3) . . ?
O2 C21 C20 122.8(3) . . ?
C22 C21 C20 121.4(3) . . ?
C23 C22 C21 120.0(4) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.8(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C25 120.7(3) . . ?
C23 C24 Br1 120.0(3) . . ?
C25 C24 Br1 119.3(3) . . ?
C24 C25 C20 120.3(3) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
C8 O1 C17 120.3(3) . . ?
C21 O2 C17 118.6(3) . . ?

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
C6 C1 C2 C3 -1.1(6) . . . . ?
C1 C2 C3 C4 1.5(7) . . . . ?
C2 C3 C4 C5 -1.0(8) . . . . ?
C3 C4 C5 C10 179.2(5) . . . . ?
C3 C4 C5 C6 0.2(6) . . . . ?
C2 C1 C6 C5 0.5(5) . . . . ?
C2 C1 C6 C7 179.8(4) . . . . ?
C10 C5 C6 C1 -179.0(3) . . . . ?
C4 C5 C6 C1 0.1(5) . . . . ?
C10 C5 C6 C7 1.7(5) . . . . ?
C4 C5 C6 C7 -179.3(3) . . . . ?
C1 C6 C7 C8 178.3(3) . . . . ?
C5 C6 C7 C8 -2.4(5) . . . . ?
C1 C6 C7 C19 1.2(5) . . . . ?
C5 C6 C7 C19 -179.5(3) . . . . ?
C6 C7 C8 O1 -177.2(3) . . . . ?
C19 C7 C8 O1 0.2(5) . . . . ?
C6 C7 C8 C9 1.2(5) . . . . ?
C19 C7 C8 C9 178.6(3) . . . . ?
C7 C8 C9 C10 0.7(5) . . . . ?
O1 C8 C9 C10 179.2(3) . . . . ?
C8 C9 C10 C5 -1.4(5) . . . . ?
C6 C5 C10 C9 0.2(5) . . . . ?
C4 C5 C10 C9 -178.8(3) . . . . ?
C16 C11 C12 C13 -0.4(6) . . . . ?
C17 C11 C12 C13 178.2(4) . . . . ?
C11 C12 C13 C14 -0.2(7) . . . . ?
C12 C13 C14 C15 1.0(8) . . . . ?
C13 C14 C15 C16 -1.2(9) . . . . ?
C14 C15 C16 C11 0.5(8) . . . . ?
C12 C11 C16 C15 0.3(7) . . . . ?
C17 C11 C16 C15 -178.4(4) . . . . ?
C12 C11 C17 O1 20.0(5) . . . . ?
C16 C11 C17 O1 -161.4(4) . . . . ?
C12 C11 C17 O2 134.9(4) . . . . ?
C16 C11 C17 O2 -46.5(4) . . . . ?
C12 C11 C17 C18 -105.0(4) . . . . ?
C16 C11 C17 C18 73.6(4) . . . . ?
O1 C17 C18 C19 55.3(4) . . . . ?
O2 C17 C18 C19 -63.9(3) . . . . ?
C11 C17 C18 C19 178.2(3) . . . . ?
C8 C7 C19 C20 -82.0(4) . . . . ?
C6 C7 C19 C20 95.2(4) . . . . ?
C8 C7 C19 C18 36.3(4) . . . . ?
C6 C7 C19 C18 -146.5(3) . . . . ?
C17 C18 C19 C20 56.2(4) . . . . ?
C17 C18 C19 C7 -62.5(3) . . . . ?
C7 C19 C20 C25 -85.4(4) . . . . ?
C18 C19 C20 C25 157.7(3) . . . . ?
C7 C19 C20 C21 90.7(4) . . . . ?
C18 C19 C20 C21 -26.3(4) . . . . ?
C25 C20 C21 O2 177.5(3) . . . . ?
C19 C20 C21 O2 1.2(5) . . . . ?
C25 C20 C21 C22 -1.9(5) . . . . ?
C19 C20 C21 C22 -178.1(3) . . . . ?
O2 C21 C22 C23 -177.0(3) . . . . ?
C20 C21 C22 C23 2.4(6) . . . . ?
C21 C22 C23 C24 -0.6(6) . . . . ?
C22 C23 C24 C25 -1.7(6) . . . . ?
C22 C23 C24 Br1 176.9(3) . . . . ?
C23 C24 C25 C20 2.3(5) . . . . ?
Br1 C24 C25 C20 -176.4(3) . . . . ?
C21 C20 C25 C24 -0.5(5) . . . . ?
C19 C20 C25 C24 175.6(3) . . . . ?
C7 C8 O1 C17 -9.9(5) . . . . ?
C9 C8 O1 C17 171.6(3) . . . . ?
O2 C17 O1 C8 101.0(3) . . . . ?
C11 C17 O1 C8 -145.7(3) . . . . ?
C18 C17 O1 C8 -19.3(4) . . . . ?
C22 C21 O2 C17 171.1(3) . . . . ?
C20 C21 O2 C17 -8.3(5) . . . . ?
O1 C17 O2 C21 -81.8(4) . . . . ?
C11 C17 O2 C21 163.2(3) . . . . ?
C18 C17 O2 C21 39.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         0.567
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.069


_database_code_depnum_ccdc_archive 'CCDC 934870'