# Electronic Supplementary Material (ESI) for RSC Advances
# 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
#  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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#  from this site to visualise CIF-encoded structures and 
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data_p-1
#TrackingRef 'P-1.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H26 F2 O'
_chemical_formula_weight         524.58

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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                   8.746(14)
_cell_length_b                   9.852(15)
_cell_length_c                   16.48(3)
_cell_angle_alpha                104.013(15)
_cell_angle_beta                 99.760(15)
_cell_angle_gamma                90.639(15)
_cell_volume                     1355(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1772
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      20.18

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             548
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.9708
_exptl_absorpt_correction_T_max  0.9840
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9641
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         25.50
_reflns_number_total             4941
_reflns_number_gt                3077
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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^)+(0.1318P)^2^+10.4342P] 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    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.025(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         4941
_refine_ls_number_parameters     362
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1697
_refine_ls_R_factor_gt           0.1342
_refine_ls_wR_factor_ref         0.4136
_refine_ls_wR_factor_gt          0.3953
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.075
_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
C1 C 0.8113(10) 0.8992(10) 0.3501(6) 0.054(2) Uani 1 1 d . . .
H1 H 0.7637 0.9688 0.3271 0.065 Uiso 1 1 calc R . .
C2 C 0.9667(11) 0.9206(12) 0.3904(7) 0.067(3) Uani 1 1 d . . .
H2 H 1.0224 1.0034 0.3938 0.081 Uiso 1 1 calc R . .
C3 C 1.0355(10) 0.8200(12) 0.4244(6) 0.068(3) Uani 1 1 d . . .
H3 H 1.1388 0.8341 0.4515 0.081 Uiso 1 1 calc R . .
C4 C 0.9539(10) 0.6965(11) 0.4194(6) 0.062(3) Uani 1 1 d . . .
H4 H 1.0012 0.6288 0.4442 0.075 Uiso 1 1 calc R . .
C5 C 0.8043(10) 0.6745(10) 0.3780(6) 0.054(2) Uani 1 1 d . . .
H5 H 0.7517 0.5892 0.3721 0.064 Uiso 1 1 calc R . .
C6 C 0.7279(8) 0.7775(8) 0.3439(5) 0.0399(18) Uani 1 1 d . . .
C7 C 0.5611(8) 0.7560(8) 0.2987(5) 0.0389(17) Uani 1 1 d . . .
H7 H 0.5218 0.8482 0.2970 0.047 Uiso 1 1 calc R . .
C8 C 0.4484(8) 0.6799(8) 0.3350(4) 0.0342(16) Uani 1 1 d . . .
C9 C 0.3388(8) 0.5933(8) 0.2669(4) 0.0371(17) Uani 1 1 d . . .
C10 C 0.3641(9) 0.6107(9) 0.1822(5) 0.0413(18) Uani 1 1 d . . .
C11 C 0.5391(9) 0.6651(9) 0.2064(5) 0.047(2) Uani 1 1 d . . .
H11A H 0.6065 0.5871 0.2028 0.056 Uiso 1 1 calc R . .
H11B H 0.5634 0.7204 0.1684 0.056 Uiso 1 1 calc R . .
C12 C 0.2698(9) 0.7307(8) 0.1552(5) 0.0424(18) Uani 1 1 d . . .
C13 C 0.3023(11) 0.7778(10) 0.0871(6) 0.055(2) Uani 1 1 d . . .
H13 H 0.3755 0.7343 0.0561 0.066 Uiso 1 1 calc R . .
C14 C 0.2259(13) 0.8900(10) 0.0647(6) 0.065(3) Uani 1 1 d . . .
H14 H 0.2458 0.9210 0.0183 0.077 Uiso 1 1 calc R . .
C15 C 0.1189(12) 0.9550(10) 0.1130(7) 0.066(3) Uani 1 1 d . . .
C16 C 0.0851(12) 0.9085(10) 0.1786(6) 0.063(3) Uani 1 1 d . . .
H16 H 0.0117 0.9522 0.2094 0.075 Uiso 1 1 calc R . .
C17 C 0.1591(10) 0.7966(9) 0.2001(5) 0.049(2) Uani 1 1 d . . .
H17 H 0.1347 0.7645 0.2453 0.058 Uiso 1 1 calc R . .
C18 C 0.3401(9) 0.4718(9) 0.1114(5) 0.0438(19) Uani 1 1 d . . .
C19 C 0.2374(10) 0.4557(10) 0.0351(5) 0.054(2) Uani 1 1 d . . .
H19 H 0.1783 0.5298 0.0251 0.065 Uiso 1 1 calc R . .
C20 C 0.2224(12) 0.3278(10) -0.0269(6) 0.062(3) Uani 1 1 d . . .
H20 H 0.1529 0.3162 -0.0778 0.074 Uiso 1 1 calc R . .
C21 C 0.3116(11) 0.2209(10) -0.0112(6) 0.057(2) Uani 1 1 d . . .
C22 C 0.4099(12) 0.2342(10) 0.0646(6) 0.060(2) Uani 1 1 d . . .
H22 H 0.4663 0.1591 0.0753 0.072 Uiso 1 1 calc R . .
C23 C 0.4244(11) 0.3576(10) 0.1239(5) 0.057(2) Uani 1 1 d . . .
H23 H 0.4930 0.3664 0.1748 0.069 Uiso 1 1 calc R . .
C24 C 0.2405(8) 0.5267(8) 0.3034(4) 0.0390(17) Uani 1 1 d . . .
C25 C 0.4139(8) 0.6630(8) 0.4089(5) 0.0382(17) Uani 1 1 d . . .
C26 C 0.4735(8) 0.7227(8) 0.4996(4) 0.0392(18) Uani 1 1 d . . .
C27 C 0.5732(10) 0.8404(9) 0.5271(5) 0.051(2) Uani 1 1 d . . .
H27 H 0.6050 0.8815 0.4871 0.062 Uiso 1 1 calc R . .
C28 C 0.6266(11) 0.8982(11) 0.6114(6) 0.060(2) Uani 1 1 d . . .
H28 H 0.6921 0.9788 0.6285 0.072 Uiso 1 1 calc R . .
C29 C 0.5813(11) 0.8345(12) 0.6722(6) 0.067(3) Uani 1 1 d . . .
H29 H 0.6195 0.8710 0.7297 0.081 Uiso 1 1 calc R . .
C30 C 0.4827(12) 0.7209(12) 0.6465(6) 0.066(3) Uani 1 1 d . . .
H30 H 0.4513 0.6810 0.6871 0.079 Uiso 1 1 calc R . .
C31 C 0.4265(11) 0.6615(10) 0.5614(5) 0.054(2) Uani 1 1 d . . .
H31 H 0.3588 0.5824 0.5450 0.064 Uiso 1 1 calc R . .
C32 C 0.1034(9) 0.4302(9) 0.2744(5) 0.0450(19) Uani 1 1 d . . .
C33 C 0.0107(9) 0.4248(10) 0.1975(5) 0.053(2) Uani 1 1 d . . .
H33 H 0.0388 0.4793 0.1629 0.063 Uiso 1 1 calc R . .
C34 C -0.1258(11) 0.3381(12) 0.1703(6) 0.069(3) Uani 1 1 d . . .
H34 H -0.1879 0.3349 0.1181 0.083 Uiso 1 1 calc R . .
C35 C -0.1665(12) 0.2584(11) 0.2214(8) 0.076(3) Uani 1 1 d . . .
H35 H -0.2550 0.1982 0.2029 0.091 Uiso 1 1 calc R . .
C36 C -0.0778(12) 0.2665(10) 0.2996(8) 0.071(3) Uani 1 1 d . . .
H36 H -0.1089 0.2152 0.3351 0.085 Uiso 1 1 calc R . .
C37 C 0.0569(10) 0.3505(9) 0.3258(6) 0.053(2) Uani 1 1 d . . .
H37 H 0.1176 0.3539 0.3784 0.064 Uiso 1 1 calc R . .
F1 F 0.0477(9) 1.0673(6) 0.0917(4) 0.093(2) Uani 1 1 d . . .
F2 F 0.3011(8) 0.0982(6) -0.0739(4) 0.084(2) Uani 1 1 d . . .
O1 O 0.2886(6) 0.5656(5) 0.3910(3) 0.0403(13) 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
C1 0.041(5) 0.064(6) 0.058(5) 0.020(4) 0.001(4) -0.010(4)
C2 0.048(5) 0.072(7) 0.077(7) 0.012(5) 0.008(5) -0.021(5)
C3 0.033(5) 0.087(8) 0.069(6) -0.004(6) 0.003(4) -0.004(5)
C4 0.040(5) 0.083(7) 0.061(6) 0.017(5) 0.004(4) 0.016(5)
C5 0.046(5) 0.056(5) 0.062(5) 0.019(4) 0.010(4) 0.001(4)
C6 0.031(4) 0.051(5) 0.036(4) 0.009(3) 0.004(3) -0.003(3)
C7 0.034(4) 0.045(4) 0.039(4) 0.014(3) 0.009(3) -0.004(3)
C8 0.029(4) 0.042(4) 0.029(3) 0.008(3) 0.001(3) -0.002(3)
C9 0.035(4) 0.046(4) 0.029(4) 0.008(3) 0.004(3) 0.000(3)
C10 0.035(4) 0.054(5) 0.031(4) 0.007(3) 0.002(3) -0.007(3)
C11 0.042(4) 0.063(5) 0.039(4) 0.019(4) 0.007(3) -0.003(4)
C12 0.043(4) 0.045(4) 0.038(4) 0.013(3) -0.002(3) -0.005(4)
C13 0.056(5) 0.063(6) 0.050(5) 0.021(4) 0.015(4) 0.002(4)
C14 0.089(7) 0.060(6) 0.050(5) 0.024(5) 0.012(5) -0.001(5)
C15 0.075(7) 0.053(6) 0.063(6) 0.015(5) -0.008(5) 0.009(5)
C16 0.064(6) 0.063(6) 0.055(6) 0.009(5) 0.000(5) 0.017(5)
C17 0.052(5) 0.054(5) 0.038(4) 0.012(4) 0.003(4) 0.001(4)
C18 0.039(4) 0.057(5) 0.036(4) 0.012(4) 0.008(3) 0.002(4)
C19 0.055(5) 0.064(6) 0.040(5) 0.009(4) 0.001(4) -0.003(4)
C20 0.072(6) 0.065(6) 0.043(5) 0.010(4) -0.002(4) -0.006(5)
C21 0.067(6) 0.053(5) 0.048(5) 0.001(4) 0.016(4) -0.009(5)
C22 0.076(7) 0.052(5) 0.053(5) 0.017(4) 0.006(5) 0.004(5)
C23 0.060(6) 0.067(6) 0.040(5) 0.006(4) 0.005(4) 0.007(5)
C24 0.034(4) 0.050(5) 0.030(4) 0.008(3) 0.001(3) -0.008(3)
C25 0.036(4) 0.043(4) 0.036(4) 0.009(3) 0.007(3) 0.001(3)
C26 0.033(4) 0.050(5) 0.030(4) 0.006(3) 0.000(3) 0.006(3)
C27 0.048(5) 0.059(5) 0.046(5) 0.008(4) 0.009(4) -0.003(4)
C28 0.050(5) 0.068(6) 0.051(5) -0.007(5) 0.007(4) -0.002(4)
C29 0.058(6) 0.095(8) 0.037(5) 0.001(5) -0.003(4) 0.014(6)
C30 0.073(7) 0.085(7) 0.041(5) 0.023(5) 0.005(5) 0.008(6)
C31 0.058(5) 0.065(6) 0.040(5) 0.018(4) 0.007(4) 0.002(4)
C32 0.037(4) 0.047(5) 0.051(5) 0.010(4) 0.010(4) 0.004(3)
C33 0.039(4) 0.074(6) 0.039(4) 0.009(4) 0.000(3) -0.013(4)
C34 0.049(5) 0.094(8) 0.056(6) 0.009(5) 0.000(4) -0.017(5)
C35 0.050(6) 0.064(7) 0.093(8) -0.013(6) 0.004(6) -0.016(5)
C36 0.061(6) 0.052(6) 0.104(9) 0.021(6) 0.022(6) -0.009(5)
C37 0.052(5) 0.045(5) 0.063(6) 0.015(4) 0.006(4) -0.005(4)
F1 0.129(6) 0.062(4) 0.089(4) 0.030(3) 0.006(4) 0.037(4)
F2 0.121(5) 0.054(3) 0.064(4) -0.010(3) 0.015(3) -0.008(3)
O1 0.039(3) 0.049(3) 0.033(3) 0.012(2) 0.006(2) -0.001(2)

_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
C1 C6 1.369(11) . ?
C1 C2 1.398(13) . ?
C1 H1 0.9300 . ?
C2 C3 1.351(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.382(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.357(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.399(12) . ?
C5 H5 0.9300 . ?
C6 C7 1.509(10) . ?
C7 C8 1.515(10) . ?
C7 C11 1.545(11) . ?
C7 H7 0.9800 . ?
C8 C25 1.349(10) . ?
C8 C9 1.435(10) . ?
C9 C24 1.373(10) . ?
C9 C10 1.499(10) . ?
C10 C18 1.554(11) . ?
C10 C12 1.558(11) . ?
C10 C11 1.569(11) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.384(11) . ?
C12 C17 1.390(12) . ?
C13 C14 1.391(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.392(14) . ?
C14 H14 0.9300 . ?
C15 C16 1.345(14) . ?
C15 F1 1.366(11) . ?
C16 C17 1.374(13) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.388(11) . ?
C18 C23 1.390(12) . ?
C19 C20 1.406(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.367(14) . ?
C20 H20 0.9300 . ?
C21 C22 1.367(13) . ?
C21 F2 1.377(10) . ?
C22 C23 1.352(13) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 O1 1.390(9) . ?
C24 C32 1.459(11) . ?
C25 O1 1.392(9) . ?
C25 C26 1.468(10) . ?
C26 C27 1.378(11) . ?
C26 C31 1.416(11) . ?
C27 C28 1.365(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.410(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.342(15) . ?
C29 H29 0.9300 . ?
C30 C31 1.384(12) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.372(11) . ?
C32 C37 1.390(12) . ?
C33 C34 1.402(12) . ?
C33 H33 0.9300 . ?
C34 C35 1.366(15) . ?
C34 H34 0.9300 . ?
C35 C36 1.371(16) . ?
C35 H35 0.9300 . ?
C36 C37 1.376(13) . ?
C36 H36 0.9300 . ?
C37 H37 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
C6 C1 C2 121.1(9) . . ?
C6 C1 H1 119.5 . . ?
C2 C1 H1 119.5 . . ?
C3 C2 C1 119.5(9) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 120.6(9) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.7(10) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.3(9) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 117.7(8) . . ?
C1 C6 C7 120.0(7) . . ?
C5 C6 C7 122.2(7) . . ?
C6 C7 C8 117.5(6) . . ?
C6 C7 C11 114.0(6) . . ?
C8 C7 C11 100.9(6) . . ?
C6 C7 H7 108.0 . . ?
C8 C7 H7 108.0 . . ?
C11 C7 H7 108.0 . . ?
C25 C8 C9 107.8(6) . . ?
C25 C8 C7 142.7(7) . . ?
C9 C8 C7 109.5(6) . . ?
C24 C9 C8 107.0(6) . . ?
C24 C9 C10 141.5(7) . . ?
C8 C9 C10 111.4(6) . . ?
C9 C10 C18 113.6(7) . . ?
C9 C10 C12 112.1(6) . . ?
C18 C10 C12 112.5(6) . . ?
C9 C10 C11 99.3(6) . . ?
C18 C10 C11 111.5(6) . . ?
C12 C10 C11 106.8(6) . . ?
C7 C11 C10 106.1(6) . . ?
C7 C11 H11A 110.5 . . ?
C10 C11 H11A 110.5 . . ?
C7 C11 H11B 110.5 . . ?
C10 C11 H11B 110.5 . . ?
H11A C11 H11B 108.7 . . ?
C13 C12 C17 118.8(8) . . ?
C13 C12 C10 119.1(7) . . ?
C17 C12 C10 121.9(7) . . ?
C12 C13 C14 120.3(9) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 118.7(9) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C16 C15 F1 120.5(10) . . ?
C16 C15 C14 121.3(9) . . ?
F1 C15 C14 118.1(9) . . ?
C15 C16 C17 120.0(10) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C12 120.8(8) . . ?
C16 C17 H17 119.6 . . ?
C12 C17 H17 119.6 . . ?
C19 C18 C23 117.8(8) . . ?
C19 C18 C10 123.0(8) . . ?
C23 C18 C10 119.3(7) . . ?
C18 C19 C20 120.2(9) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 118.9(9) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C21 C22 121.3(9) . . ?
C20 C21 F2 118.4(9) . . ?
C22 C21 F2 120.2(9) . . ?
C23 C22 C21 119.5(9) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C18 122.2(9) . . ?
C22 C23 H23 118.9 . . ?
C18 C23 H23 118.9 . . ?
C9 C24 O1 108.4(6) . . ?
C9 C24 C32 136.9(7) . . ?
O1 C24 C32 114.7(6) . . ?
C8 C25 O1 108.9(6) . . ?
C8 C25 C26 135.9(7) . . ?
O1 C25 C26 115.2(6) . . ?
C27 C26 C31 118.3(7) . . ?
C27 C26 C25 121.5(7) . . ?
C31 C26 C25 120.2(7) . . ?
C28 C27 C26 121.8(9) . . ?
C28 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
C27 C28 C29 119.3(9) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C30 C29 C28 119.6(9) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C29 C30 C31 121.9(9) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 H30 119.1 . . ?
C30 C31 C26 119.1(9) . . ?
C30 C31 H31 120.5 . . ?
C26 C31 H31 120.5 . . ?
C33 C32 C37 118.5(8) . . ?
C33 C32 C24 120.0(8) . . ?
C37 C32 C24 121.4(8) . . ?
C32 C33 C34 120.9(9) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
C35 C34 C33 119.3(9) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C36 120.4(9) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C35 C36 C37 120.2(10) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 H36 119.9 . . ?
C36 C37 C32 120.7(9) . . ?
C36 C37 H37 119.6 . . ?
C32 C37 H37 119.6 . . ?
C24 O1 C25 107.8(5) . . ?

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 -0.5(15) . . . . ?
C1 C2 C3 C4 0.3(16) . . . . ?
C2 C3 C4 C5 1.7(15) . . . . ?
C3 C4 C5 C6 -3.4(14) . . . . ?
C2 C1 C6 C5 -1.1(13) . . . . ?
C2 C1 C6 C7 -178.9(8) . . . . ?
C4 C5 C6 C1 3.1(13) . . . . ?
C4 C5 C6 C7 -179.1(8) . . . . ?
C1 C6 C7 C8 -142.9(8) . . . . ?
C5 C6 C7 C8 39.4(10) . . . . ?
C1 C6 C7 C11 99.5(9) . . . . ?
C5 C6 C7 C11 -78.3(9) . . . . ?
C6 C7 C8 C25 35.8(14) . . . . ?
C11 C7 C8 C25 160.3(10) . . . . ?
C6 C7 C8 C9 -143.5(7) . . . . ?
C11 C7 C8 C9 -19.0(8) . . . . ?
C25 C8 C9 C24 0.1(9) . . . . ?
C7 C8 C9 C24 179.7(6) . . . . ?
C25 C8 C9 C10 177.4(7) . . . . ?
C7 C8 C9 C10 -3.0(9) . . . . ?
C24 C9 C10 C18 -42.5(14) . . . . ?
C8 C9 C10 C18 141.7(7) . . . . ?
C24 C9 C10 C12 86.5(13) . . . . ?
C8 C9 C10 C12 -89.4(8) . . . . ?
C24 C9 C10 C11 -161.0(11) . . . . ?
C8 C9 C10 C11 23.1(8) . . . . ?
C6 C7 C11 C10 160.3(7) . . . . ?
C8 C7 C11 C10 33.4(8) . . . . ?
C9 C10 C11 C7 -34.7(8) . . . . ?
C18 C10 C11 C7 -154.8(7) . . . . ?
C12 C10 C11 C7 81.9(7) . . . . ?
C9 C10 C12 C13 167.9(7) . . . . ?
C18 C10 C12 C13 -62.6(9) . . . . ?
C11 C10 C12 C13 60.1(9) . . . . ?
C9 C10 C12 C17 -9.0(10) . . . . ?
C18 C10 C12 C17 120.6(8) . . . . ?
C11 C10 C12 C17 -116.7(8) . . . . ?
C17 C12 C13 C14 0.5(13) . . . . ?
C10 C12 C13 C14 -176.4(8) . . . . ?
C12 C13 C14 C15 1.2(14) . . . . ?
C13 C14 C15 C16 -2.2(15) . . . . ?
C13 C14 C15 F1 178.3(9) . . . . ?
F1 C15 C16 C17 -179.1(8) . . . . ?
C14 C15 C16 C17 1.3(15) . . . . ?
C15 C16 C17 C12 0.4(14) . . . . ?
C13 C12 C17 C16 -1.3(12) . . . . ?
C10 C12 C17 C16 175.5(8) . . . . ?
C9 C10 C18 C19 124.6(8) . . . . ?
C12 C10 C18 C19 -4.1(11) . . . . ?
C11 C10 C18 C19 -124.1(8) . . . . ?
C9 C10 C18 C23 -55.3(10) . . . . ?
C12 C10 C18 C23 175.9(7) . . . . ?
C11 C10 C18 C23 55.9(10) . . . . ?
C23 C18 C19 C20 -0.8(13) . . . . ?
C10 C18 C19 C20 179.2(8) . . . . ?
C18 C19 C20 C21 -0.7(14) . . . . ?
C19 C20 C21 C22 2.6(15) . . . . ?
C19 C20 C21 F2 -177.2(8) . . . . ?
C20 C21 C22 C23 -2.9(15) . . . . ?
F2 C21 C22 C23 176.9(8) . . . . ?
C21 C22 C23 C18 1.3(15) . . . . ?
C19 C18 C23 C22 0.6(14) . . . . ?
C10 C18 C23 C22 -179.5(8) . . . . ?
C8 C9 C24 O1 -1.8(9) . . . . ?
C10 C9 C24 O1 -177.8(9) . . . . ?
C8 C9 C24 C32 177.5(9) . . . . ?
C10 C9 C24 C32 1.6(19) . . . . ?
C9 C8 C25 O1 1.6(8) . . . . ?
C7 C8 C25 O1 -177.7(9) . . . . ?
C9 C8 C25 C26 -177.0(8) . . . . ?
C7 C8 C25 C26 3.7(18) . . . . ?
C8 C25 C26 C27 12.7(14) . . . . ?
O1 C25 C26 C27 -165.9(7) . . . . ?
C8 C25 C26 C31 -168.6(9) . . . . ?
O1 C25 C26 C31 12.8(10) . . . . ?
C31 C26 C27 C28 -0.1(13) . . . . ?
C25 C26 C27 C28 178.7(8) . . . . ?
C26 C27 C28 C29 1.3(14) . . . . ?
C27 C28 C29 C30 -2.1(15) . . . . ?
C28 C29 C30 C31 1.7(16) . . . . ?
C29 C30 C31 C26 -0.4(15) . . . . ?
C27 C26 C31 C30 -0.4(13) . . . . ?
C25 C26 C31 C30 -179.1(8) . . . . ?
C9 C24 C32 C33 -24.0(15) . . . . ?
O1 C24 C32 C33 155.3(7) . . . . ?
C9 C24 C32 C37 161.0(10) . . . . ?
O1 C24 C32 C37 -19.7(11) . . . . ?
C37 C32 C33 C34 -1.6(13) . . . . ?
C24 C32 C33 C34 -176.8(8) . . . . ?
C32 C33 C34 C35 0.1(15) . . . . ?
C33 C34 C35 C36 2.2(16) . . . . ?
C34 C35 C36 C37 -2.9(16) . . . . ?
C35 C36 C37 C32 1.4(15) . . . . ?
C33 C32 C37 C36 0.9(13) . . . . ?
C24 C32 C37 C36 176.0(8) . . . . ?
C9 C24 O1 C25 2.8(8) . . . . ?
C32 C24 O1 C25 -176.7(6) . . . . ?
C8 C25 O1 C24 -2.8(8) . . . . ?
C26 C25 O1 C24 176.2(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.098

# Attachment 'P-1.pcf'

#data_test_0m
#TrackingRef 'P-1.pcf'

#_symmetry_cell_setting 'Triclinic'
#_symmetry_space_group_name_H-M 'P-1 '
#_cell_measurement_temperature 296(2)
#_cell_measurement_reflns_used 1772
#_cell_measurement_theta_min 2.37
#_cell_measurement_theta_max 20.18
#_exptl_crystal_description '?'
#_exptl_crystal_colour '?'
#_exptl_crystal_size_min ?
#_exptl_crystal_size_mid ?
#_exptl_crystal_size_max ?
#_exptl_crystal_density_meas 0
#_exptl_crystal_density_method '?'
#_exptl_absorpt_correction_type 'none'
#_exptl_absorpt_correction_T_min ?
#_exptl_absorpt_correction_T_max ?
#_diffrn_ambient_temperature 296(2)
#_diffrn_radiation_type 'MoK\a'
#_diffrn_radiation_source 'sealed tube'
#_diffrn_radiation_monochromator 'graphite'
#_diffrn_measurement_device_type 'Bruker APEX-II CCD'
#_diffrn_measurement_method '\f and \w scans'
#_diffrn_detector_area_resol_mean ?
#_diffrn_standards_number 0
#_diffrn_standards_interval_count ?
#_diffrn_standards_decay_% ?
#_computing_data_collection 'Bruker APEX2'
#_computing_cell_refinement 'Bruker SAINT'
#_computing_data_reduction 'Bruker SAINT' A
#_computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)'
#_computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)'
#_computing_molecular_graphics 'Bruker SHELXTL'
#_computing_publication_material 'Bruker SHELXTL'

# Attachment 'P-1.res'




_database_code_depnum_ccdc_archive 'CCDC 933627'