# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Chemical Science'

_journal_coden_Cambridge         1475
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Miguel A Garcia-Garibay'
_publ_contact_author_email       mgg@chem.ucla.edu

_publ_section_title              
;
Steady state and transient kinetics in crystalline solids:
The photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone

;
loop_
_publ_author_name
G.Kuzmanich
J.Xue
J.Netto-Ferreira
J.Scaiano
M.Platz
;
M.Garcia-Garibay
;

# Attachment '- gg310s.cif'

data_gg310s
_database_code_depnum_ccdc_archive 'CCDC 818702'
#TrackingRef '- gg310s.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H20 O2'
_chemical_formula_sum            'C27 H20 O2'
_chemical_formula_weight         376.43

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   8.5144(8)
_cell_length_b                   8.9709(8)
_cell_length_c                   13.4150(13)
_cell_angle_alpha                92.8290(10)
_cell_angle_beta                 103.5900(10)
_cell_angle_gamma                102.0480(10)
_cell_volume                     968.80(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7669
_cell_measurement_theta_min      4.07
_cell_measurement_theta_max      30.70

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             396
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9467
_exptl_absorpt_correction_T_max  0.9842
_exptl_absorpt_process_details   'Sadabs (Bruker)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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            13605
_diffrn_reflns_av_R_equivalents  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0216
_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       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.07
_diffrn_reflns_theta_max         30.87
_reflns_number_total             5483
_reflns_number_gt                4943
_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^)+(0.0549P)^2^+0.4833P] 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         5483
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1233
_refine_ls_wR_factor_gt          0.1202
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_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
O1 O 0.22310(10) 0.20051(10) 0.06966(6) 0.01706(17) Uani 1 1 d . . .
H1O H 0.1476 0.1636 0.0164 0.026 Uiso 1 1 calc R . .
O2 O 0.03675(10) -0.10292(9) 0.10989(6) 0.01838(17) Uani 1 1 d . . .
C1 C -0.10103(15) 0.16289(14) 0.21638(10) 0.0218(2) Uani 1 1 d . . .
H1 H -0.0753 0.0838 0.2575 0.026 Uiso 1 1 calc R . .
C2 C -0.24344(16) 0.21572(16) 0.21682(11) 0.0265(3) Uani 1 1 d . . .
H2 H -0.3148 0.1721 0.2577 0.032 Uiso 1 1 calc R . .
C3 C -0.28133(16) 0.33196(17) 0.15762(11) 0.0279(3) Uani 1 1 d . . .
H3 H -0.3782 0.3684 0.1581 0.033 Uiso 1 1 calc R . .
C4 C -0.17736(17) 0.39447(16) 0.09782(11) 0.0275(3) Uani 1 1 d . . .
H4 H -0.2031 0.4741 0.0572 0.033 Uiso 1 1 calc R . .
C5 C -0.03482(15) 0.34129(14) 0.09670(10) 0.0214(2) Uani 1 1 d . . .
H5 H 0.0358 0.3846 0.0553 0.026 Uiso 1 1 calc R . .
C6 C 0.00394(13) 0.22495(13) 0.15617(8) 0.0155(2) Uani 1 1 d . . .
C7 C 0.16224(13) 0.17015(12) 0.15874(8) 0.01386(19) Uani 1 1 d . . .
C8 C 0.30039(13) 0.23769(12) 0.25279(8) 0.0144(2) Uani 1 1 d . . .
C9 C 0.35955(13) 0.12584(12) 0.30910(8) 0.0144(2) Uani 1 1 d . . .
C10 C 0.27421(13) -0.03633(12) 0.26024(8) 0.01367(19) Uani 1 1 d . . .
C11 C 0.14084(13) -0.00455(12) 0.16819(8) 0.01407(19) Uani 1 1 d . . .
C12 C 0.18355(13) -0.13600(13) 0.32816(8) 0.0151(2) Uani 1 1 d . . .
C13 C 0.11442(14) -0.29161(13) 0.29496(9) 0.0189(2) Uani 1 1 d . . .
H13 H 0.1286 -0.3346 0.2324 0.023 Uiso 1 1 calc R . .
C14 C 0.02519(15) -0.38370(14) 0.35277(10) 0.0226(2) Uani 1 1 d . . .
H14 H -0.0215 -0.4889 0.3295 0.027 Uiso 1 1 calc R . .
C15 C 0.00430(15) -0.32177(15) 0.44465(10) 0.0232(2) Uani 1 1 d . . .
H15 H -0.0566 -0.3845 0.4841 0.028 Uiso 1 1 calc R . .
C16 C 0.07258(15) -0.16828(15) 0.47840(9) 0.0212(2) Uani 1 1 d . . .
H16 H 0.0596 -0.1261 0.5415 0.025 Uiso 1 1 calc R . .
C17 C 0.16057(14) -0.07518(13) 0.41985(9) 0.0176(2) Uani 1 1 d . . .
H17 H 0.2050 0.0304 0.4428 0.021 Uiso 1 1 calc R . .
C18 C 0.39913(13) -0.11192(12) 0.22290(9) 0.0156(2) Uani 1 1 d . . .
C19 C 0.51427(15) -0.16743(14) 0.29538(9) 0.0203(2) Uani 1 1 d . . .
H19 H 0.5065 -0.1674 0.3649 0.024 Uiso 1 1 calc R . .
C20 C 0.64001(16) -0.22260(15) 0.26658(11) 0.0246(3) Uani 1 1 d . . .
H20 H 0.7187 -0.2583 0.3167 0.029 Uiso 1 1 calc R . .
C21 C 0.65093(15) -0.22570(14) 0.16477(11) 0.0242(3) Uani 1 1 d . . .
H21 H 0.7367 -0.2636 0.1451 0.029 Uiso 1 1 calc R . .
C22 C 0.53603(16) -0.17322(15) 0.09209(10) 0.0239(2) Uani 1 1 d . . .
H22 H 0.5422 -0.1764 0.0222 0.029 Uiso 1 1 calc R . .
C23 C 0.41111(15) -0.11554(14) 0.12103(9) 0.0201(2) Uani 1 1 d . . .
H23 H 0.3338 -0.0785 0.0708 0.024 Uiso 1 1 calc R . .
C24 C 0.48900(14) 0.16877(13) 0.39816(9) 0.0170(2) Uani 1 1 d . . .
H24 H 0.5303 0.0930 0.4368 0.020 Uiso 1 1 calc R . .
C25 C 0.55684(14) 0.32335(14) 0.42975(9) 0.0195(2) Uani 1 1 d . . .
H25 H 0.6441 0.3534 0.4907 0.023 Uiso 1 1 calc R . .
C26 C 0.49762(15) 0.43508(13) 0.37242(9) 0.0207(2) Uani 1 1 d . . .
H26 H 0.5457 0.5405 0.3944 0.025 Uiso 1 1 calc R . .
C27 C 0.36919(14) 0.39334(13) 0.28366(9) 0.0185(2) Uani 1 1 d . . .
H27 H 0.3289 0.4692 0.2447 0.022 Uiso 1 1 calc R . .

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
O1 0.0160(4) 0.0232(4) 0.0126(4) 0.0035(3) 0.0049(3) 0.0037(3)
O2 0.0177(4) 0.0188(4) 0.0165(4) -0.0001(3) 0.0016(3) 0.0028(3)
C1 0.0219(5) 0.0216(5) 0.0240(6) 0.0029(4) 0.0106(4) 0.0041(4)
C2 0.0194(5) 0.0281(6) 0.0332(7) -0.0033(5) 0.0138(5) 0.0016(5)
C3 0.0181(5) 0.0343(7) 0.0315(7) -0.0063(5) 0.0047(5) 0.0104(5)
C4 0.0283(6) 0.0312(6) 0.0274(6) 0.0048(5) 0.0051(5) 0.0179(5)
C5 0.0220(5) 0.0247(6) 0.0215(6) 0.0064(4) 0.0074(4) 0.0107(5)
C6 0.0140(4) 0.0165(5) 0.0157(5) 0.0002(4) 0.0036(4) 0.0036(4)
C7 0.0140(4) 0.0158(4) 0.0125(5) 0.0028(4) 0.0039(3) 0.0039(4)
C8 0.0138(4) 0.0161(5) 0.0137(5) 0.0012(4) 0.0039(3) 0.0034(4)
C9 0.0137(4) 0.0157(5) 0.0137(5) 0.0008(4) 0.0040(4) 0.0030(4)
C10 0.0138(4) 0.0142(4) 0.0128(5) 0.0014(4) 0.0026(3) 0.0037(4)
C11 0.0140(4) 0.0170(5) 0.0123(4) 0.0022(4) 0.0042(3) 0.0048(4)
C12 0.0134(4) 0.0171(5) 0.0151(5) 0.0039(4) 0.0027(4) 0.0047(4)
C13 0.0186(5) 0.0178(5) 0.0189(5) 0.0024(4) 0.0028(4) 0.0034(4)
C14 0.0207(5) 0.0186(5) 0.0267(6) 0.0074(4) 0.0034(4) 0.0020(4)
C15 0.0190(5) 0.0256(6) 0.0282(6) 0.0139(5) 0.0086(4) 0.0070(5)
C16 0.0218(5) 0.0266(6) 0.0200(5) 0.0079(4) 0.0091(4) 0.0103(5)
C17 0.0177(5) 0.0193(5) 0.0177(5) 0.0034(4) 0.0055(4) 0.0064(4)
C18 0.0144(5) 0.0146(4) 0.0182(5) 0.0013(4) 0.0047(4) 0.0035(4)
C19 0.0196(5) 0.0224(5) 0.0210(5) 0.0053(4) 0.0054(4) 0.0082(4)
C20 0.0199(5) 0.0246(6) 0.0325(7) 0.0083(5) 0.0077(5) 0.0100(5)
C21 0.0200(5) 0.0218(5) 0.0350(7) 0.0015(5) 0.0127(5) 0.0074(4)
C22 0.0229(6) 0.0271(6) 0.0238(6) -0.0010(5) 0.0103(5) 0.0058(5)
C23 0.0186(5) 0.0239(5) 0.0184(5) 0.0011(4) 0.0056(4) 0.0057(4)
C24 0.0163(5) 0.0187(5) 0.0151(5) 0.0019(4) 0.0022(4) 0.0036(4)
C25 0.0177(5) 0.0206(5) 0.0171(5) -0.0017(4) 0.0013(4) 0.0016(4)
C26 0.0211(5) 0.0168(5) 0.0209(6) -0.0018(4) 0.0030(4) 0.0008(4)
C27 0.0203(5) 0.0155(5) 0.0192(5) 0.0018(4) 0.0041(4) 0.0041(4)

_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
O1 C7 1.4265(13) . ?
O1 H1O 0.8400 . ?
O2 C11 1.2064(14) . ?
C1 C6 1.3918(16) . ?
C1 C2 1.3921(17) . ?
C1 H1 0.9500 . ?
C2 C3 1.387(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.3966(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.3917(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.5219(14) . ?
C7 C8 1.5073(15) . ?
C7 C11 1.5545(15) . ?
C8 C9 1.3922(15) . ?
C8 C27 1.3971(15) . ?
C9 C24 1.3961(15) . ?
C9 C10 1.5215(15) . ?
C10 C12 1.5324(15) . ?
C10 C18 1.5363(14) . ?
C10 C11 1.5513(15) . ?
C12 C17 1.3930(15) . ?
C12 C13 1.4021(16) . ?
C13 C14 1.3926(17) . ?
C13 H13 0.9500 . ?
C14 C15 1.3915(19) . ?
C14 H14 0.9500 . ?
C15 C16 1.3855(18) . ?
C15 H15 0.9500 . ?
C16 C17 1.3985(16) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.3933(16) . ?
C18 C19 1.3993(15) . ?
C19 C20 1.3919(16) . ?
C19 H19 0.9500 . ?
C20 C21 1.3899(19) . ?
C20 H20 0.9500 . ?
C21 C22 1.3851(19) . ?
C21 H21 0.9500 . ?
C22 C23 1.3977(16) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.3888(16) . ?
C24 H24 0.9500 . ?
C25 C26 1.3982(17) . ?
C25 H25 0.9500 . ?
C26 C27 1.3882(16) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?

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
C7 O1 H1O 109.5 . . ?
C6 C1 C2 120.55(12) . . ?
C6 C1 H1 119.7 . . ?
C2 C1 H1 119.7 . . ?
C3 C2 C1 120.12(12) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 119.65(11) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.43(12) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 120.12(12) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C1 119.12(10) . . ?
C5 C6 C7 120.62(10) . . ?
C1 C6 C7 120.22(10) . . ?
O1 C7 C8 108.16(8) . . ?
O1 C7 C6 112.90(9) . . ?
C8 C7 C6 113.15(9) . . ?
O1 C7 C11 107.14(8) . . ?
C8 C7 C11 101.91(8) . . ?
C6 C7 C11 112.85(9) . . ?
C9 C8 C27 121.01(10) . . ?
C9 C8 C7 112.47(9) . . ?
C27 C8 C7 126.52(10) . . ?
C8 C9 C24 119.91(10) . . ?
C8 C9 C10 113.00(9) . . ?
C24 C9 C10 127.03(10) . . ?
C9 C10 C12 114.52(9) . . ?
C9 C10 C18 109.56(8) . . ?
C12 C10 C18 112.27(9) . . ?
C9 C10 C11 101.06(8) . . ?
C12 C10 C11 107.57(8) . . ?
C18 C10 C11 111.31(8) . . ?
O2 C11 C10 124.33(10) . . ?
O2 C11 C7 124.41(10) . . ?
C10 C11 C7 111.23(9) . . ?
C17 C12 C13 118.70(10) . . ?
C17 C12 C10 121.97(10) . . ?
C13 C12 C10 119.26(10) . . ?
C14 C13 C12 120.64(11) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C13 120.07(11) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 119.79(11) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.23(11) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 120.56(11) . . ?
C12 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C23 C18 C19 118.69(10) . . ?
C23 C18 C10 122.30(10) . . ?
C19 C18 C10 118.79(10) . . ?
C20 C19 C18 120.60(11) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C19 120.27(12) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 119.58(11) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C23 120.32(12) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C18 C23 C22 120.53(11) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C9 119.33(10) . . ?
C25 C24 H24 120.3 . . ?
C9 C24 H24 120.3 . . ?
C24 C25 C26 120.45(11) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C27 C26 C25 120.57(11) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C8 118.72(10) . . ?
C26 C27 H27 120.6 . . ?
C8 C27 H27 120.6 . . ?

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 -0.51(19) . . . . ?
C1 C2 C3 C4 0.3(2) . . . . ?
C2 C3 C4 C5 0.0(2) . . . . ?
C3 C4 C5 C6 -0.2(2) . . . . ?
C4 C5 C6 C1 0.00(18) . . . . ?
C4 C5 C6 C7 -177.69(11) . . . . ?
C2 C1 C6 C5 0.35(18) . . . . ?
C2 C1 C6 C7 178.04(11) . . . . ?
C5 C6 C7 O1 -23.56(14) . . . . ?
C1 C6 C7 O1 158.78(10) . . . . ?
C5 C6 C7 C8 99.70(12) . . . . ?
C1 C6 C7 C8 -77.96(13) . . . . ?
C5 C6 C7 C11 -145.24(11) . . . . ?
C1 C6 C7 C11 37.10(14) . . . . ?
O1 C7 C8 C9 -110.77(10) . . . . ?
C6 C7 C8 C9 123.39(10) . . . . ?
C11 C7 C8 C9 1.95(11) . . . . ?
O1 C7 C8 C27 68.20(13) . . . . ?
C6 C7 C8 C27 -57.64(14) . . . . ?
C11 C7 C8 C27 -179.08(10) . . . . ?
C27 C8 C9 C24 0.33(16) . . . . ?
C7 C8 C9 C24 179.36(9) . . . . ?
C27 C8 C9 C10 -177.25(10) . . . . ?
C7 C8 C9 C10 1.78(12) . . . . ?
C8 C9 C10 C12 -119.90(10) . . . . ?
C24 C9 C10 C12 62.73(14) . . . . ?
C8 C9 C10 C18 112.94(10) . . . . ?
C24 C9 C10 C18 -64.43(14) . . . . ?
C8 C9 C10 C11 -4.60(11) . . . . ?
C24 C9 C10 C11 178.02(10) . . . . ?
C9 C10 C11 O2 -176.04(10) . . . . ?
C12 C10 C11 O2 -55.68(13) . . . . ?
C18 C10 C11 O2 67.70(13) . . . . ?
C9 C10 C11 C7 5.78(10) . . . . ?
C12 C10 C11 C7 126.14(9) . . . . ?
C18 C10 C11 C7 -110.48(9) . . . . ?
O1 C7 C11 O2 -69.63(13) . . . . ?
C8 C7 C11 O2 176.90(10) . . . . ?
C6 C7 C11 O2 55.25(14) . . . . ?
O1 C7 C11 C10 108.55(9) . . . . ?
C8 C7 C11 C10 -4.92(10) . . . . ?
C6 C7 C11 C10 -126.57(9) . . . . ?
C9 C10 C12 C17 9.31(14) . . . . ?
C18 C10 C12 C17 135.07(10) . . . . ?
C11 C10 C12 C17 -102.14(11) . . . . ?
C9 C10 C12 C13 -173.84(9) . . . . ?
C18 C10 C12 C13 -48.08(13) . . . . ?
C11 C10 C12 C13 74.71(12) . . . . ?
C17 C12 C13 C14 -0.29(16) . . . . ?
C10 C12 C13 C14 -177.24(10) . . . . ?
C12 C13 C14 C15 -0.22(18) . . . . ?
C13 C14 C15 C16 -0.01(18) . . . . ?
C14 C15 C16 C17 0.77(18) . . . . ?
C13 C12 C17 C16 1.05(16) . . . . ?
C10 C12 C17 C16 177.91(10) . . . . ?
C15 C16 C17 C12 -1.30(17) . . . . ?
C9 C10 C18 C23 -96.77(12) . . . . ?
C12 C10 C18 C23 134.82(11) . . . . ?
C11 C10 C18 C23 14.16(14) . . . . ?
C9 C10 C18 C19 77.66(12) . . . . ?
C12 C10 C18 C19 -50.76(13) . . . . ?
C11 C10 C18 C19 -171.41(10) . . . . ?
C23 C18 C19 C20 1.13(18) . . . . ?
C10 C18 C19 C20 -173.50(11) . . . . ?
C18 C19 C20 C21 -1.14(19) . . . . ?
C19 C20 C21 C22 0.1(2) . . . . ?
C20 C21 C22 C23 0.9(2) . . . . ?
C19 C18 C23 C22 -0.14(18) . . . . ?
C10 C18 C23 C22 174.29(11) . . . . ?
C21 C22 C23 C18 -0.85(19) . . . . ?
C8 C9 C24 C25 0.28(16) . . . . ?
C10 C9 C24 C25 177.49(10) . . . . ?
C9 C24 C25 C26 -0.74(17) . . . . ?
C24 C25 C26 C27 0.60(18) . . . . ?
C25 C26 C27 C8 0.00(17) . . . . ?
C9 C8 C27 C26 -0.46(17) . . . . ?
C7 C8 C27 C26 -179.35(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.896
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.209
_refine_diff_density_rms         0.050