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

#######################################################################
#
#                 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
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_r

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H24 Br N O4'
_chemical_formula_weight         506.38

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           monoclinic
_symmetry_space_group_name_H-M   'P 21'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   12.0177(3)
_cell_length_b                   6.57341(14)
_cell_length_c                   15.9929(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.393(3)
_cell_angle_gamma                90.00
_cell_volume                     1184.21(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    95(2)
_cell_measurement_reflns_used    5521
_cell_measurement_theta_min      3.3750
_cell_measurement_theta_max      22.2640

_exptl_crystal_description       lath
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             520
_exptl_absorpt_coefficient_mu    1.769
_exptl_absorpt_correction_T_min  0.85818
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      95(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_detector_area_resol_mean 16.5467
_diffrn_measurement_method       'ω scans and φ scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        .
_diffrn_reflns_number            24259
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0784
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.38
_diffrn_reflns_theta_max         26.37
_reflns_number_total             4821
_reflns_number_gt                4060
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0331P)²+0.9489P] where P=(Fo²+2Fc²)/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     SHELXL
_refine_ls_extinction_coef       0.0027(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(11)
_refine_ls_number_reflns         4821
_refine_ls_number_parameters     281
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1006
_refine_ls_wR_factor_gt          0.0937
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_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
N1 N 0.1262(3) 0.3059(6) 0.0351(3) 0.0292(11) Uani 1 1 d . . .
O2 O 0.1185(3) 0.4930(6) 0.0314(2) 0.0384(9) Uani 1 1 d . . .
O3 O 0.1471(3) 0.2061(7) 0.1033(2) 0.0462(12) Uani 1 1 d . . .
C4 C 0.1083(4) 0.1971(6) -0.0489(3) 0.0215(11) Uani 1 1 d . . .
C5 C 0.1421(4) -0.0055(7) -0.0446(3) 0.0248(11) Uani 1 1 d . . .
H5 H 0.1758 -0.0722 0.0113 0.030 Uiso 1 1 calc R . .
C6 C 0.1258(4) -0.1073(7) -0.1231(3) 0.0211(10) Uani 1 1 d . . .
H6 H 0.1490 -0.2458 -0.1213 0.025 Uiso 1 1 calc R . .
C7 C 0.0754(4) -0.0100(6) -0.2054(3) 0.0163(9) Uani 1 1 d . . .
C8 C 0.0416(4) 0.1917(6) -0.2069(3) 0.0208(11) Uani 1 1 d . . .
H8 H 0.0078 0.2593 -0.2626 0.025 Uiso 1 1 calc R . .
C9 C 0.0562(4) 0.2964(6) -0.1289(3) 0.0207(11) Uani 1 1 d . . .
H9 H 0.0309 0.4337 -0.1304 0.025 Uiso 1 1 calc R . .
O10 O 0.1546(2) -0.2584(7) -0.28024(15) 0.0173(5) Uani 1 1 d . . .
C11 C 0.2541(4) -0.1728(7) -0.2858(3) 0.0188(10) Uani 1 1 d . . .
O12 O 0.2592(3) 0.0054(5) -0.3034(2) 0.0259(8) Uani 1 1 d . . .
C13 C 0.3532(4) -0.3177(6) -0.2661(3) 0.0193(10) Uani 1 1 d . . .
C14 C 0.3417(4) 0.4765(7) -0.2476(3) 0.0210(10) Uani 1 1 d . . .
H14 H 0.2670 0.4251 -0.2494 0.025 Uiso 1 1 calc R . .
C15 C 0.4383(4) 0.3485(7) -0.2269(3) 0.0240(11) Uani 1 1 d . . .
H15 H 0.4295 0.2086 -0.2157 0.029 Uiso 1 1 calc R . .
C16 C 0.5474(4) 0.4221(7) -0.2223(3) 0.0216(10) Uani 1 1 d . . .
C17 C 0.5616(4) -0.3747(7) -0.2400(3) 0.0241(11) Uani 1 1 d . . .
H17 H 0.6371 -0.3241 -0.2367 0.029 Uiso 1 1 calc R . .
C18 C 0.4637(3) -0.2465(11) -0.2626(2) 0.0230(9) Uani 1 1 d . . .
H18 H 0.4723 -0.1079 -0.2760 0.028 Uiso 1 1 calc R . .
Br19 Br 0.67874(4) 0.24320(8) -0.19165(3) 0.02814(14) Uani 1 1 d . . .
C20 C 0.0546(4) -0.1258(6) -0.2916(3) 0.0162(9) Uani 1 1 d . . .
H20 H 0.0477 -0.0268 -0.3407 0.019 Uiso 1 1 calc R . .
C21 C -0.0557(3) -0.2639(9) -0.3196(2) 0.0148(7) Uani 1 1 d . . .
H21 H -0.0372 -0.3788 -0.2759 0.018 Uiso 1 1 calc R . .
C22 C -0.0769(4) -0.3594(6) -0.4122(3) 0.0146(9) Uani 1 1 d . . .
C23 C -0.0094(4) -0.5027(7) -0.4262(3) 0.0197(10) Uani 1 1 d . . .
H23A H -0.0295 -0.5631 -0.4835 0.024 Uiso 1 1 calc R . .
H23B H 0.0597 -0.5459 -0.3790 0.024 Uiso 1 1 calc R . .
C24 C -0.1858(3) -0.2863(8) -0.4838(3) 0.0191(11) Uani 1 1 d . . .
H24 H -0.1934 -0.3274 -0.5457 0.023 Uiso 1 1 calc R . .
C25 C -0.2962(4) -0.3337(6) -0.4567(3) 0.0173(10) Uani 1 1 d . . .
C26 C -0.2666(4) -0.1300(6) -0.4046(3) 0.0185(10) Uani 1 1 d . . .
H26 H -0.3365 -0.0485 -0.4040 0.022 Uiso 1 1 calc R . .
C27 C -0.2086(4) -0.0591(7) -0.4717(3) 0.0232(11) Uani 1 1 d . . .
H27A H -0.1356 0.0226 -0.4449 0.028 Uiso 1 1 calc R . .
H27B H -0.2640 0.0071 -0.5257 0.028 Uiso 1 1 calc R . .
C28 C -0.2962(4) -0.5305(7) -0.4069(3) 0.0254(11) Uani 1 1 d . . .
H28A H -0.3668 -0.5353 -0.3897 0.038 Uiso 1 1 calc R . .
H28B H -0.2247 -0.5365 -0.3533 0.038 Uiso 1 1 calc R . .
H28C H -0.2969 -0.6465 -0.4456 0.038 Uiso 1 1 calc R . .
C29 C -0.4129(4) -0.3203(7) -0.5361(3) 0.0328(14) Uani 1 1 d . . .
H29A H -0.4199 -0.4381 -0.5752 0.049 Uiso 1 1 calc R . .
H29B H -0.4138 -0.1951 -0.5696 0.049 Uiso 1 1 calc R . .
H29C H -0.4798 -0.3191 -0.5144 0.049 Uiso 1 1 calc R . .
C30 C -0.1677(4) -0.1578(7) -0.3138(3) 0.0210(10) Uiso 1 1 d . . .
H30A H -0.1989 -0.2392 -0.2748 0.025 Uiso 1 1 calc R . .
H30B H -0.1450 -0.0227 -0.2858 0.025 Uiso 1 1 calc R . .
C31 C -0.4745(14) 0.193(3) 0.0079(9) 0.172(6) Uiso 1 1 d . . .
C32 C -0.5774(13) 0.369(2) 0.0042(9) 0.144(5) Uiso 1 1 d . . .
C33 C -0.469(2) 0.550(4) 0.0054(15) 0.233(9) Uiso 1 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
N1 O3 1.222(5) . ?
N1 O2 1.233(5) . ?
N1 C4 1.470(5) . ?
C4 C9 1.377(6) . ?
C4 C5 1.387(6) . ?
C5 C6 1.375(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.399(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.384(6) . ?
C7 C20 1.517(6) . ?
C8 C9 1.382(6) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
O10 C11 1.351(5) . ?
O10 C20 1.444(5) . ?
C11 O12 1.212(5) . ?
C11 C13 1.471(6) . ?
C13 C18 1.391(6) . ?
C13 C14 1.402(6) 1_545 ?
C14 C15 1.377(6) . ?
C14 C13 1.402(6) 1_565 ?
C14 H14 0.9500 . ?
C15 C16 1.376(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(6) 1_565 ?
C16 Br19 1.891(4) . ?
C17 C16 1.388(6) 1_545 ?
C17 C18 1.389(7) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C20 C21 1.538(6) . ?
C20 H20 1.0000 . ?
C21 C22 1.546(5) . ?
C21 C30 1.547(6) . ?
C21 H21 1.0000 . ?
C22 C23 1.312(6) . ?
C22 C24 1.487(6) . ?
C23 H23A 0.9500 . ?
C23 H23B 0.9500 . ?
C24 C27 1.543(7) . ?
C24 C25 1.563(6) . ?
C24 H24 1.0000 . ?
C25 C28 1.518(6) . ?
C25 C29 1.532(6) . ?
C25 C26 1.552(6) . ?
C26 C30 1.533(6) . ?
C26 C27 1.541(6) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C33 1.14(2) 2_445 ?
C31 C32 1.677(17) . ?
C32 C33 1.76(2) . ?
C33 C31 1.14(2) 2_455 ?

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
O3 N1 O2 124.5(4) . . ?
O3 N1 C4 118.3(4) . . ?
O2 N1 C4 117.2(4) . . ?
C9 C4 C5 122.1(4) . . ?
C9 C4 N1 119.5(4) . . ?
C5 C4 N1 118.3(4) . . ?
C6 C5 C4 118.4(4) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
C5 C6 C7 121.0(4) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C8 C7 C6 118.8(4) . . ?
C8 C7 C20 120.7(4) . . ?
C6 C7 C20 120.4(4) . . ?
C9 C8 C7 121.1(4) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C4 C9 C8 118.5(4) . . ?
C4 C9 H9 120.8 . . ?
C8 C9 H9 120.8 . . ?
C11 O10 C20 117.2(4) . . ?
O12 C11 O10 122.4(4) . . ?
O12 C11 C13 125.0(4) . . ?
O10 C11 C13 112.7(4) . . ?
C18 C13 C14 118.7(5) . 1_545 ?
C18 C13 C11 118.8(4) . . ?
C14 C13 C11 122.5(4) 1_545 . ?
C15 C14 C13 120.2(4) . 1_565 ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 1_565 . ?
C16 C15 C14 120.4(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.6(4) . 1_565 ?
C15 C16 Br19 119.3(4) . . ?
C17 C16 Br19 120.1(3) 1_565 . ?
C16 C17 C18 118.9(5) 1_545 . ?
C16 C17 H17 120.5 1_545 . ?
C18 C17 H17 120.5 . . ?
C17 C18 C13 121.1(6) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
O10 C20 C7 108.8(3) . . ?
O10 C20 C21 106.0(3) . . ?
C7 C20 C21 114.3(3) . . ?
O10 C20 H20 109.2 . . ?
C7 C20 H20 109.2 . . ?
C21 C20 H20 109.2 . . ?
C20 C21 C22 110.8(3) . . ?
C20 C21 C30 113.3(4) . . ?
C22 C21 C30 112.5(3) . . ?
C20 C21 H21 106.5 . . ?
C22 C21 H21 106.5 . . ?
C30 C21 H21 106.5 . . ?
C23 C22 C24 122.1(4) . . ?
C23 C22 C21 123.3(4) . . ?
C24 C22 C21 114.4(4) . . ?
C22 C23 H23A 120.0 . . ?
C22 C23 H23B 120.0 . . ?
H23A C23 H23B 120.0 . . ?
C22 C24 C27 111.3(4) . . ?
C22 C24 C25 109.0(3) . . ?
C27 C24 C25 87.3(3) . . ?
C22 C24 H24 115.3 . . ?
C27 C24 H24 115.3 . . ?
C25 C24 H24 115.3 . . ?
C28 C25 C29 108.5(4) . . ?
C28 C25 C26 119.7(4) . . ?
C29 C25 C26 111.6(4) . . ?
C28 C25 C24 118.0(4) . . ?
C29 C25 C24 112.3(4) . . ?
C26 C25 C24 85.3(3) . . ?
C30 C26 C27 107.8(4) . . ?
C30 C26 C25 111.3(4) . . ?
C27 C26 C25 87.8(3) . . ?
C30 C26 H26 115.5 . . ?
C27 C26 H26 115.5 . . ?
C25 C26 H26 115.5 . . ?
C26 C27 C24 86.4(3) . . ?
C26 C27 H27A 114.2 . . ?
C24 C27 H27A 114.2 . . ?
C26 C27 H27B 114.2 . . ?
C24 C27 H27B 114.2 . . ?
H27A C27 H27B 111.4 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 C21 113.7(3) . . ?
C26 C30 H30A 108.8 . . ?
C21 C30 H30A 108.8 . . ?
C26 C30 H30B 108.8 . . ?
C21 C30 H30B 108.8 . . ?
H30A C30 H30B 107.7 . . ?
C33 C31 C32 100.2(16) 2_445 . ?
C31 C32 C33 85.9(9) . . ?
C31 C33 C32 99.4(17) 2_455 . ?

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
O3 N1 C4 C9 163.8(4) . . . . ?
O2 N1 C4 C9 -15.9(6) . . . . ?
O3 N1 C4 C5 -14.5(6) . . . . ?
O2 N1 C4 C5 165.8(4) . . . . ?
C9 C4 C5 C6 1.9(7) . . . . ?
N1 C4 C5 C6 -179.8(4) . . . . ?
C4 C5 C6 C7 -0.5(7) . . . . ?
C5 C6 C7 C8 -0.2(7) . . . . ?
C5 C6 C7 C20 -178.3(4) . . . . ?
C6 C7 C8 C9 -0.4(6) . . . . ?
C20 C7 C8 C9 177.7(4) . . . . ?
C5 C4 C9 C8 -2.5(7) . . . . ?
N1 C4 C9 C8 179.2(4) . . . . ?
C7 C8 C9 C4 1.7(7) . . . . ?
C20 O10 C11 O12 -3.2(6) . . . . ?
C20 O10 C11 C13 175.4(3) . . . . ?
O12 C11 C13 C18 3.4(7) . . . . ?
O10 C11 C13 C18 -175.1(3) . . . . ?
O12 C11 C13 C14 -178.9(4) . . . 1_545 ?
O10 C11 C13 C14 2.6(6) . . . 1_545 ?
C13 C14 C15 C16 1.4(7) 1_565 . . . ?
C14 C15 C16 C17 -1.2(7) . . . 1_565 ?
C14 C15 C16 Br19 178.9(3) . . . . ?
C16 C17 C18 C13 1.2(6) 1_545 . . . ?
C14 C13 C18 C17 -1.0(6) 1_545 . . . ?
C11 C13 C18 C17 176.8(4) . . . . ?
C11 O10 C20 C7 -78.7(4) . . . . ?
C11 O10 C20 C21 158.0(3) . . . . ?
C8 C7 C20 O10 142.1(4) . . . . ?
C6 C7 C20 O10 -39.9(5) . . . . ?
C8 C7 C20 C21 -99.7(5) . . . . ?
C6 C7 C20 C21 78.3(5) . . . . ?
O10 C20 C21 C22 -65.7(4) . . . . ?
C7 C20 C21 C22 174.5(4) . . . . ?
O10 C20 C21 C30 166.7(3) . . . . ?
C7 C20 C21 C30 46.9(5) . . . . ?
C20 C21 C22 C23 71.8(6) . . . . ?
C30 C21 C22 C23 -160.1(4) . . . . ?
C20 C21 C22 C24 -112.3(4) . . . . ?
C30 C21 C22 C24 15.7(6) . . . . ?
C23 C22 C24 C27 -148.1(4) . . . . ?
C21 C22 C24 C27 36.0(5) . . . . ?
C23 C22 C24 C25 117.2(5) . . . . ?
C21 C22 C24 C25 -58.7(5) . . . . ?
C22 C24 C25 C28 -36.4(5) . . . . ?
C27 C24 C25 C28 -148.0(4) . . . . ?
C22 C24 C25 C29 -163.7(4) . . . . ?
C27 C24 C25 C29 84.7(4) . . . . ?
C22 C24 C25 C26 84.9(4) . . . . ?
C27 C24 C25 C26 -26.7(3) . . . . ?
C28 C25 C26 C30 38.2(6) . . . . ?
C29 C25 C26 C30 166.3(4) . . . . ?
C24 C25 C26 C30 -81.5(4) . . . . ?
C28 C25 C26 C27 146.5(4) . . . . ?
C29 C25 C26 C27 -85.4(4) . . . . ?
C24 C25 C26 C27 26.7(3) . . . . ?
C30 C26 C27 C24 84.5(4) . . . . ?
C25 C26 C27 C24 -27.1(3) . . . . ?
C22 C24 C27 C26 -82.5(4) . . . . ?
C25 C24 C27 C26 26.9(3) . . . . ?
C27 C26 C30 C21 -42.6(5) . . . . ?
C25 C26 C30 C21 52.1(5) . . . . ?
C20 C21 C30 C26 114.6(4) . . . . ?
C22 C21 C30 C26 -12.1(6) . . . . ?
C33 C31 C32 C33 -169.8(10) 2_445 . . . ?
C31 C32 C33 C31 171.5(15) . . . 2_455 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.470
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.076

_database_code_depnum_ccdc_archive 'CCDC 1000349'
