# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       ktakimi@hiroshima-u.ac.jp
_publ_contact_author_name        'Kazuo Takimiya'
loop_
_publ_author_name
'Kazuo Takimiya'
K.Niimi
H.Mori
E.Miyazaki
I.Osaka
H.Kakizoe
C.Adachi

data_crystalclear
_database_code_depnum_ccdc_archive 'CCDC 871900'
#TrackingRef '- BNF.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H14 O2'
_chemical_formula_weight         334.35

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           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   5.986(4)
_cell_length_b                   7.803(5)
_cell_length_c                   17.433(11)
_cell_angle_alpha                85.512(11)
_cell_angle_beta                 82.285(10)
_cell_angle_gamma                85.930(11)
_cell_volume                     802.9(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             348
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9336
_exptl_absorpt_correction_T_max  0.9828
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6047
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0547
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.49
_diffrn_reflns_theta_max         27.47
_reflns_number_total             3415
_reflns_number_gt                1935
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.1000P)^2^+0.0000P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3415
_refine_ls_number_parameters     237
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1605
_refine_ls_wR_factor_gt          0.1410
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_restrained_S_all      0.890
_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 0.4597(3) 0.4706(2) 0.03779(11) 0.0527(5) Uani 1 1 d . . .
O1 O 0.2740(10) 0.3906(10) 0.0577(5) 0.0475(9) Uani 0.596(6) 1 d P A 1
C2 C 0.2331(3) 0.3484(2) 0.13484(11) 0.0488(4) Uani 1 1 d . . .
C3 C 0.0630(3) 0.2682(2) 0.18074(10) 0.0470(4) Uani 1 1 d . A .
H1 H -0.0580 0.2309 0.1595 0.056 Uiso 1 1 calc R . .
C4 C 0.0752(2) 0.2434(2) 0.26112(10) 0.0421(4) Uani 1 1 d . . .
C5 C -0.0944(3) 0.1616(2) 0.31277(11) 0.0490(5) Uani 1 1 d . A .
H2 H -0.2168 0.1221 0.2931 0.059 Uiso 1 1 calc R . .
C6 C -0.0829(3) 0.1391(2) 0.39045(12) 0.0566(5) Uani 1 1 d . . .
H3 H -0.1974 0.0859 0.4231 0.068 Uiso 1 1 calc R A .
C7 C 0.1021(3) 0.1963(2) 0.42137(12) 0.0573(5) Uani 1 1 d . A .
H4 H 0.1098 0.1805 0.4744 0.069 Uiso 1 1 calc R . .
C8 C 0.2704(3) 0.2750(2) 0.37359(11) 0.0523(5) Uani 1 1 d . . .
H5 H 0.3917 0.3120 0.3948 0.063 Uiso 1 1 calc R A .
C9 C 0.2643(2) 0.3014(2) 0.29288(10) 0.0417(4) Uani 1 1 d . A .
C10 C 0.4364(2) 0.3838(2) 0.24316(10) 0.0466(4) Uani 1 1 d . . .
H6 H 0.5590 0.4226 0.2629 0.056 Uiso 1 1 calc R A .
C11 C 0.4202(3) 0.4056(2) 0.16564(11) 0.0498(5) Uani 1 1 d . A .
C12 C 0.5753(18) 0.4873(15) 0.1054(8) 0.0475(9) Uani 0.596(6) 1 d P A 1
H7 H 0.7104 0.5366 0.1087 0.057 Uiso 0.596(6) 1 calc PR A 1
O2 O 0.5404(16) 0.4754(14) 0.0999(8) 0.0475(9) Uani 0.404(6) 1 d P A 2
C13 C 0.237(3) 0.386(2) 0.0504(12) 0.0475(9) Uani 0.404(6) 1 d P A 2
H8 H 0.1360 0.3650 0.0165 0.057 Uiso 0.404(6) 1 calc PR A 2
C14 C -0.0486(3) -0.0312(3) 0.03707(11) 0.0525(5) Uani 1 1 d . . .
O3 O 0.0575(9) -0.1313(10) 0.0847(5) 0.0467(9) Uani 0.612(6) 1 d P B 1
C15 C -0.0749(3) -0.1696(2) 0.15318(10) 0.0487(4) Uani 1 1 d . . .
C16 C -0.0358(2) -0.2638(2) 0.21982(10) 0.0451(4) Uani 1 1 d . B .
H9 H 0.1036 -0.3218 0.2241 0.054 Uiso 1 1 calc R . .
C17 C -0.2121(2) -0.2711(2) 0.28204(10) 0.0404(4) Uani 1 1 d . . .
C18 C -0.1829(3) -0.3622(2) 0.35407(11) 0.0491(4) Uani 1 1 d . B .
H10 H -0.0453 -0.4214 0.3601 0.059 Uiso 1 1 calc R . .
C19 C -0.3523(3) -0.3648(3) 0.41433(12) 0.0571(5) Uani 1 1 d . . .
H11 H -0.3295 -0.4246 0.4612 0.069 Uiso 1 1 calc R B .
C20 C -0.5619(3) -0.2773(3) 0.40606(12) 0.0592(5) Uani 1 1 d . B .
H12 H -0.6769 -0.2798 0.4476 0.071 Uiso 1 1 calc R . .
C21 C -0.5986(3) -0.1892(2) 0.33820(11) 0.0522(5) Uani 1 1 d . . .
H13 H -0.7389 -0.1327 0.3339 0.063 Uiso 1 1 calc R B .
C22 C -0.4267(2) -0.1815(2) 0.27374(10) 0.0408(4) Uani 1 1 d . B .
C23 C -0.4609(3) -0.0884(2) 0.20318(10) 0.0459(4) Uani 1 1 d . . .
H14 H -0.6006 -0.0328 0.1968 0.055 Uiso 1 1 calc R B .
C24 C -0.2864(3) -0.0811(2) 0.14454(10) 0.0480(4) Uani 1 1 d . B .
C25 C -0.2803(16) 0.0109(16) 0.0689(7) 0.0467(9) Uani 0.612(6) 1 d P B 1
H15 H -0.3932 0.0781 0.0470 0.056 Uiso 0.612(6) 1 calc PR B 1
O4 O -0.2415(17) -0.0051(17) 0.0716(8) 0.0467(9) Uani 0.388(6) 1 d P B 2
C26 C 0.099(3) -0.146(3) 0.0864(12) 0.0467(9) Uani 0.388(6) 1 d P B 2
H16 H 0.2492 -0.1877 0.0773 0.056 Uiso 0.388(6) 1 calc PR B 2

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 0.0583(9) 0.0441(11) 0.0535(12) -0.0012(9) -0.0025(9) -0.0005(8)
O1 0.046(2) 0.0462(10) 0.0530(17) -0.0044(9) -0.0138(14) -0.0092(14)
C2 0.0586(9) 0.0383(10) 0.0482(11) -0.0039(8) -0.0050(8) 0.0028(7)
C3 0.0500(8) 0.0394(10) 0.0545(12) -0.0066(8) -0.0150(8) -0.0033(7)
C4 0.0413(7) 0.0327(9) 0.0532(11) -0.0052(7) -0.0084(7) -0.0014(6)
C5 0.0447(8) 0.0416(10) 0.0613(13) -0.0037(9) -0.0081(8) -0.0056(7)
C6 0.0543(9) 0.0474(11) 0.0648(14) 0.0024(9) 0.0001(9) -0.0026(8)
C7 0.0639(10) 0.0567(13) 0.0504(12) -0.0001(9) -0.0079(9) -0.0001(9)
C8 0.0543(9) 0.0505(11) 0.0550(12) -0.0064(9) -0.0165(8) -0.0019(8)
C9 0.0416(7) 0.0352(9) 0.0494(11) -0.0059(7) -0.0095(7) -0.0003(6)
C10 0.0433(8) 0.0394(10) 0.0587(12) -0.0037(8) -0.0109(8) -0.0054(7)
C11 0.0517(9) 0.0375(10) 0.0577(12) -0.0013(8) -0.0017(8) 0.0014(7)
C12 0.046(2) 0.0462(10) 0.0530(17) -0.0044(9) -0.0138(14) -0.0092(14)
O2 0.046(2) 0.0462(10) 0.0530(17) -0.0044(9) -0.0138(14) -0.0092(14)
C13 0.046(2) 0.0462(10) 0.0530(17) -0.0044(9) -0.0138(14) -0.0092(14)
C14 0.0623(10) 0.0532(12) 0.0439(11) -0.0069(9) -0.0084(8) -0.0108(8)
O3 0.044(2) 0.0509(17) 0.0454(8) -0.0024(10) -0.0075(16) 0.0011(16)
C15 0.0572(9) 0.0466(11) 0.0433(11) -0.0072(8) -0.0025(8) -0.0135(8)
C16 0.0418(7) 0.0451(10) 0.0482(11) -0.0065(8) -0.0036(7) -0.0026(7)
C17 0.0423(7) 0.0344(9) 0.0455(10) -0.0042(7) -0.0067(7) -0.0060(6)
C18 0.0510(8) 0.0459(11) 0.0514(12) -0.0005(8) -0.0112(8) -0.0060(7)
C19 0.0671(10) 0.0562(12) 0.0485(12) 0.0030(9) -0.0084(9) -0.0121(9)
C20 0.0616(10) 0.0599(13) 0.0534(13) -0.0070(10) 0.0078(9) -0.0112(9)
C21 0.0460(8) 0.0497(11) 0.0598(13) -0.0074(9) 0.0001(8) -0.0041(7)
C22 0.0421(7) 0.0329(9) 0.0489(11) -0.0069(7) -0.0075(7) -0.0049(6)
C23 0.0464(8) 0.0390(10) 0.0541(11) -0.0050(8) -0.0126(8) -0.0018(7)
C24 0.0605(9) 0.0414(10) 0.0443(11) -0.0046(8) -0.0093(8) -0.0109(7)
C25 0.044(2) 0.0509(17) 0.0454(8) -0.0024(10) -0.0075(16) 0.0011(16)
O4 0.044(2) 0.0509(17) 0.0454(8) -0.0024(10) -0.0075(16) 0.0011(16)
C26 0.044(2) 0.0509(17) 0.0454(8) -0.0024(10) -0.0075(16) 0.0011(16)

_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 O2 1.247(12) . ?
C1 O1 1.307(7) . ?
C1 C1 1.395(4) 2_665 ?
C1 C12 1.464(11) . ?
C1 C13 1.513(16) . ?
O1 C2 1.352(8) . ?
C2 C3 1.364(2) . ?
C2 C11 1.418(3) . ?
C2 C13 1.48(2) . ?
C3 C4 1.411(2) . ?
C3 H1 0.9300 . ?
C4 C5 1.416(2) . ?
C4 C9 1.440(2) . ?
C5 C6 1.362(3) . ?
C5 H2 0.9300 . ?
C6 C7 1.409(3) . ?
C6 H3 0.9300 . ?
C7 C8 1.367(3) . ?
C7 H4 0.9300 . ?
C8 C9 1.411(3) . ?
C8 H5 0.9300 . ?
C9 C10 1.412(2) . ?
C10 C11 1.364(3) . ?
C10 H6 0.9300 . ?
C11 O2 1.365(13) . ?
C11 C12 1.445(13) . ?
C12 H7 0.9300 . ?
C13 H8 0.9300 . ?
C14 O4 1.240(11) . ?
C14 O3 1.293(7) . ?
C14 C14 1.409(4) 2 ?
C14 C25 1.449(10) . ?
C14 C26 1.516(16) . ?
O3 C15 1.366(8) . ?
C15 C16 1.364(2) . ?
C15 C24 1.419(2) . ?
C15 C26 1.46(2) . ?
C16 C17 1.409(2) . ?
C16 H9 0.9300 . ?
C17 C18 1.419(2) . ?
C17 C22 1.437(2) . ?
C18 C19 1.359(3) . ?
C18 H10 0.9300 . ?
C19 C20 1.404(3) . ?
C19 H11 0.9300 . ?
C20 C21 1.357(3) . ?
C20 H12 0.9300 . ?
C21 C22 1.419(2) . ?
C21 H13 0.9300 . ?
C22 C23 1.411(2) . ?
C23 C24 1.361(2) . ?
C23 H14 0.9300 . ?
C24 O4 1.362(13) . ?
C24 C25 1.448(13) . ?
C25 H15 0.9300 . ?
C26 H16 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
O2 C1 O1 104.2(5) . . ?
O2 C1 C1 130.9(5) . 2_665 ?
O1 C1 C1 124.9(4) . 2_665 ?
O2 C1 C12 6.6(10) . . ?
O1 C1 C12 110.8(7) . . ?
C1 C1 C12 124.3(6) 2_665 . ?
O2 C1 C13 111.5(11) . . ?
O1 C1 C13 7.5(10) . . ?
C1 C1 C13 117.5(8) 2_665 . ?
C12 C1 C13 118.2(6) . . ?
C1 O1 C2 113.1(4) . . ?
O1 C2 C3 133.4(3) . . ?
O1 C2 C11 104.6(3) . . ?
C3 C2 C11 121.93(17) . . ?
O1 C2 C13 10.1(8) . . ?
C3 C2 C13 123.5(7) . . ?
C11 C2 C13 114.6(7) . . ?
C2 C3 C4 118.37(15) . . ?
C2 C3 H1 120.8 . . ?
C4 C3 H1 120.8 . . ?
C3 C4 C5 121.92(15) . . ?
C3 C4 C9 120.05(16) . . ?
C5 C4 C9 118.03(16) . . ?
C6 C5 C4 121.73(16) . . ?
C6 C5 H2 119.1 . . ?
C4 C5 H2 119.1 . . ?
C5 C6 C7 120.10(18) . . ?
C5 C6 H3 120.0 . . ?
C7 C6 H3 120.0 . . ?
C8 C7 C6 120.14(18) . . ?
C8 C7 H4 119.9 . . ?
C6 C7 H4 119.9 . . ?
C7 C8 C9 121.50(16) . . ?
C7 C8 H5 119.2 . . ?
C9 C8 H5 119.2 . . ?
C8 C9 C10 121.89(15) . . ?
C8 C9 C4 118.49(16) . . ?
C10 C9 C4 119.61(16) . . ?
C11 C10 C9 118.97(15) . . ?
C11 C10 H6 120.5 . . ?
C9 C10 H6 120.5 . . ?
C10 C11 O2 138.2(4) . . ?
C10 C11 C2 121.07(17) . . ?
O2 C11 C2 100.8(4) . . ?
C10 C11 C12 127.8(5) . . ?
O2 C11 C12 10.4(8) . . ?
C2 C11 C12 111.2(5) . . ?
C11 C12 C1 100.2(6) . . ?
C11 C12 H7 129.9 . . ?
C1 C12 H7 129.9 . . ?
C1 O2 C11 117.2(7) . . ?
C2 C13 C1 95.9(10) . . ?
C2 C13 H8 132.1 . . ?
C1 C13 H8 132.1 . . ?
O4 C14 O3 105.2(4) . . ?
O4 C14 C14 130.3(5) . 2 ?
O3 C14 C14 124.4(4) . 2 ?
O4 C14 C25 6.9(10) . . ?
O3 C14 C25 112.1(7) . . ?
C14 C14 C25 123.5(5) 2 . ?
O4 C14 C26 111.6(12) . . ?
O3 C14 C26 6.4(11) . . ?
C14 C14 C26 118.0(8) 2 . ?
C25 C14 C26 118.5(6) . . ?
C14 O3 C15 112.4(4) . . ?
C16 C15 O3 133.2(3) . . ?
C16 C15 C24 122.24(16) . . ?
O3 C15 C24 104.5(3) . . ?
C16 C15 C26 122.9(6) . . ?
O3 C15 C26 10.3(8) . . ?
C24 C15 C26 114.8(7) . . ?
C15 C16 C17 118.30(14) . . ?
C15 C16 H9 120.9 . . ?
C17 C16 H9 120.9 . . ?
C16 C17 C18 121.75(14) . . ?
C16 C17 C22 119.77(15) . . ?
C18 C17 C22 118.47(15) . . ?
C19 C18 C17 121.25(15) . . ?
C19 C18 H10 119.4 . . ?
C17 C18 H10 119.4 . . ?
C18 C19 C20 120.16(18) . . ?
C18 C19 H11 119.9 . . ?
C20 C19 H11 119.9 . . ?
C21 C20 C19 120.82(17) . . ?
C21 C20 H12 119.6 . . ?
C19 C20 H12 119.6 . . ?
C20 C21 C22 121.20(15) . . ?
C20 C21 H13 119.4 . . ?
C22 C21 H13 119.4 . . ?
C23 C22 C21 121.92(14) . . ?
C23 C22 C17 119.98(15) . . ?
C21 C22 C17 118.10(15) . . ?
C24 C23 C22 118.95(14) . . ?
C24 C23 H14 120.5 . . ?
C22 C23 H14 120.5 . . ?
C23 C24 O4 138.6(4) . . ?
C23 C24 C15 120.73(16) . . ?
O4 C24 C15 100.6(4) . . ?
C23 C24 C25 128.5(4) . . ?
O4 C24 C25 10.2(7) . . ?
C15 C24 C25 110.8(4) . . ?
C24 C25 C14 100.2(6) . . ?
C24 C25 H15 129.9 . . ?
C14 C25 H15 129.9 . . ?
C14 O4 C24 117.2(7) . . ?
C15 C26 C14 95.7(10) . . ?
C15 C26 H16 132.1 . . ?
C14 C26 H16 132.1 . . ?

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
O2 C1 O1 C2 1.9(4) . . . . ?
C1 C1 O1 C2 -179.5(3) 2_665 . . . ?
C12 C1 O1 C2 1.7(10) . . . . ?
C13 C1 O1 C2 -165(8) . . . . ?
C1 O1 C2 C3 179.1(3) . . . . ?
C1 O1 C2 C11 -1.7(6) . . . . ?
C1 O1 C2 C13 169(6) . . . . ?
O1 C2 C3 C4 179.5(4) . . . . ?
C11 C2 C3 C4 0.4(3) . . . . ?
C13 C2 C3 C4 -178.3(8) . . . . ?
C2 C3 C4 C5 179.92(14) . . . . ?
C2 C3 C4 C9 -0.3(2) . . . . ?
C3 C4 C5 C6 -179.45(15) . . . . ?
C9 C4 C5 C6 0.7(2) . . . . ?
C4 C5 C6 C7 -0.6(3) . . . . ?
C5 C6 C7 C8 0.2(3) . . . . ?
C6 C7 C8 C9 0.1(3) . . . . ?
C7 C8 C9 C10 179.47(15) . . . . ?
C7 C8 C9 C4 0.0(3) . . . . ?
C3 C4 C9 C8 179.74(14) . . . . ?
C5 C4 C9 C8 -0.4(2) . . . . ?
C3 C4 C9 C10 0.3(2) . . . . ?
C5 C4 C9 C10 -179.88(13) . . . . ?
C8 C9 C10 C11 -179.87(15) . . . . ?
C4 C9 C10 C11 -0.4(2) . . . . ?
C9 C10 C11 O2 179.6(7) . . . . ?
C9 C10 C11 C2 0.6(3) . . . . ?
C9 C10 C11 C12 179.4(6) . . . . ?
O1 C2 C11 C10 -179.9(3) . . . . ?
C3 C2 C11 C10 -0.6(3) . . . . ?
C13 C2 C11 C10 178.2(8) . . . . ?
O1 C2 C11 O2 0.8(8) . . . . ?
C3 C2 C11 O2 -179.9(5) . . . . ?
C13 C2 C11 O2 -1.1(5) . . . . ?
O1 C2 C11 C12 1.1(3) . . . . ?
C3 C2 C11 C12 -179.5(5) . . . . ?
C13 C2 C11 C12 -0.7(12) . . . . ?
C10 C11 C12 C1 -179.1(3) . . . . ?
O2 C11 C12 C1 2(5) . . . . ?
C2 C11 C12 C1 -0.2(7) . . . . ?
O2 C1 C12 C11 -3(8) . . . . ?
O1 C1 C12 C11 -0.8(10) . . . . ?
C1 C1 C12 C11 -179.7(3) 2_665 . . . ?
C13 C1 C12 C11 1.1(4) . . . . ?
O1 C1 O2 C11 -1.4(7) . . . . ?
C1 C1 O2 C11 -179.9(4) 2_665 . . . ?
C12 C1 O2 C11 177(9) . . . . ?
C13 C1 O2 C11 0.4(17) . . . . ?
C10 C11 O2 C1 -178.7(4) . . . . ?
C2 C11 O2 C1 0.4(9) . . . . ?
C12 C11 O2 C1 -178(6) . . . . ?
O1 C2 C13 C1 -9(5) . . . . ?
C3 C2 C13 C1 -180.0(3) . . . . ?
C11 C2 C13 C1 1.3(11) . . . . ?
O2 C1 C13 C2 -1.0(15) . . . . ?
O1 C1 C13 C2 13(7) . . . . ?
C1 C1 C13 C2 179.3(4) 2_665 . . . ?
C12 C1 C13 C2 -1.5(7) . . . . ?
O4 C14 O3 C15 -0.5(4) . . . . ?
C14 C14 O3 C15 178.7(4) 2 . . . ?
C25 C14 O3 C15 -0.9(12) . . . . ?
C26 C14 O3 C15 174(11) . . . . ?
C14 O3 C15 C16 -178.0(3) . . . . ?
C14 O3 C15 C24 0.3(7) . . . . ?
C14 O3 C15 C26 -176(7) . . . . ?
O3 C15 C16 C17 177.4(5) . . . . ?
C24 C15 C16 C17 -0.6(3) . . . . ?
C26 C15 C16 C17 176.9(11) . . . . ?
C15 C16 C17 C18 -178.18(15) . . . . ?
C15 C16 C17 C22 0.5(3) . . . . ?
C16 C17 C18 C19 178.32(17) . . . . ?
C22 C17 C18 C19 -0.4(3) . . . . ?
C17 C18 C19 C20 0.5(3) . . . . ?
C18 C19 C20 C21 0.0(3) . . . . ?
C19 C20 C21 C22 -0.4(3) . . . . ?
C20 C21 C22 C23 -179.04(17) . . . . ?
C20 C21 C22 C17 0.4(3) . . . . ?
C16 C17 C22 C23 0.7(2) . . . . ?
C18 C17 C22 C23 179.46(15) . . . . ?
C16 C17 C22 C21 -178.80(16) . . . . ?
C18 C17 C22 C21 0.0(2) . . . . ?
C21 C22 C23 C24 177.62(16) . . . . ?
C17 C22 C23 C24 -1.9(3) . . . . ?
C22 C23 C24 O4 -176.8(9) . . . . ?
C22 C23 C24 C15 1.8(3) . . . . ?
C22 C23 C24 C25 -177.6(7) . . . . ?
C16 C15 C24 C23 -0.5(3) . . . . ?
O3 C15 C24 C23 -179.0(4) . . . . ?
C26 C15 C24 C23 -178.3(10) . . . . ?
C16 C15 C24 O4 178.5(6) . . . . ?
O3 C15 C24 O4 0.0(9) . . . . ?
C26 C15 C24 O4 0.8(5) . . . . ?
C16 C15 C24 C25 178.9(6) . . . . ?
O3 C15 C24 C25 0.4(3) . . . . ?
C26 C15 C24 C25 1.2(15) . . . . ?
C23 C24 C25 C14 178.5(3) . . . . ?
O4 C24 C25 C14 2(5) . . . . ?
C15 C24 C25 C14 -0.9(8) . . . . ?
O4 C14 C25 C24 -2(9) . . . . ?
O3 C14 C25 C24 1.1(12) . . . . ?
C14 C14 C25 C24 -178.5(4) 2 . . . ?
C26 C14 C25 C24 0.4(4) . . . . ?
O3 C14 O4 C24 0.5(8) . . . . ?
C14 C14 O4 C24 -178.6(5) 2 . . . ?
C25 C14 O4 C24 177(10) . . . . ?
C26 C14 O4 C24 0(2) . . . . ?
C23 C24 O4 C14 178.4(4) . . . . ?
C15 C24 O4 C14 -0.3(11) . . . . ?
C25 C24 O4 C14 -178(7) . . . . ?
C16 C15 C26 C14 -178.5(4) . . . . ?
O3 C15 C26 C14 3(6) . . . . ?
C24 C15 C26 C14 -0.8(13) . . . . ?
O4 C14 C26 C15 0.6(19) . . . . ?
O3 C14 C26 C15 -6(10) . . . . ?
C14 C14 C26 C15 179.2(5) 2 . . . ?
C25 C14 C26 C15 0.2(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.930
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.930
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.046