# Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is (C) The Royal Society of Chemistry 2010


data_global

_journal_coden_Cambridge         1145

loop_
_publ_author_name
'Murphy, Erin'

_publ_contact_author_name        'Murphy, Erin'
_publ_contact_author_email       emurphy@chem.ucla.edu

_publ_section_title              
;
The return of photoelastic stress measurements: utilizing
birefringence to monitor damage and repair in healable materials
;

# Attachment '- TEG Monomer.CIF'

data_erin1
_database_code_depnum_ccdc_archive 'CCDC 784697'
#TrackingRef '- TEG Monomer.CIF'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H22 O6'
_chemical_formula_weight         334.36

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           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   6.2605(7)
_cell_length_b                   29.481(4)
_cell_length_c                   8.9958(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.235(3)
_cell_angle_gamma                90.00
_cell_volume                     1659.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             712
_exptl_absorpt_coefficient_mu    0.100
_exptl_absorpt_correction_type   emperical
_exptl_absorpt_correction_T_min  0.221
_exptl_absorpt_correction_T_max  0.278
_exptl_absorpt_process_details   'psi scan'

_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       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12567
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0485
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.38
_diffrn_reflns_theta_max         26.55
_reflns_number_total             3345
_reflns_number_gt                1832
_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^)+(0.0903P)^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         3345
_refine_ls_number_parameters     305
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_ref         0.1503
_refine_ls_wR_factor_gt          0.1255
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_restrained_S_all      0.936
_refine_ls_shift/su_max          0.002
_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 0.5420(4) 0.04041(7) 0.7061(3) 0.0486(6) Uani 1 1 d . . .
C2 C 0.3114(5) 0.03956(10) 0.9087(3) 0.0615(7) Uani 1 1 d . . .
C3 C 0.1147(4) 0.06290(9) 0.9544(3) 0.0625(7) Uani 1 1 d . . .
C4 C 0.0828(5) 0.13629(10) 0.8454(3) 0.0667(8) Uani 1 1 d . . .
C5 C 0.1869(5) 0.18187(10) 0.8603(4) 0.0704(8) Uani 1 1 d . . .
C6 C 0.5281(5) 0.21697(9) 0.8658(3) 0.0657(7) Uani 1 1 d . . .
C7 C 0.5341(5) 0.24281(8) 0.7222(3) 0.0636(7) Uani 1 1 d . . .
C8 C 0.5053(4) 0.19490(7) 0.5093(3) 0.0492(6) Uani 1 1 d . . .
C9 C 0.6246(3) 0.16559(7) 0.4097(2) 0.0452(5) Uani 1 1 d . . .
C10 C 0.5236(4) 0.14167(8) 0.2736(2) 0.0479(6) Uani 1 1 d . . .
C11 C 0.5010(4) 0.09061(7) 0.3136(3) 0.0464(5) Uani 1 1 d . . .
C12 C 0.3941(4) 0.07815(8) 0.4593(3) 0.0479(6) Uani 1 1 d . . .
C13 C 0.5698(3) 0.05713(7) 0.5543(2) 0.0445(5) Uani 1 1 d . . .
C14 C 0.7547(4) 0.05564(7) 0.4869(3) 0.0503(6) Uani 1 1 d . . .
C15 C 0.7400(4) 0.07488(8) 0.3337(3) 0.0502(6) Uani 1 1 d . . .
C16 C 0.8675(4) 0.11941(8) 0.2991(2) 0.0507(6) Uani 1 1 d . . .
C17 C 0.8283(4) 0.15236(7) 0.4238(3) 0.0478(6) Uani 1 1 d . . .
C18 C 0.7193(4) 0.13977(10) 0.1765(3) 0.0583(7) Uani 1 1 d . . .
H10 H 0.399(4) 0.1590(7) 0.228(2) 0.050(6) Uiso 1 1 d . . .
H11 H 0.433(3) 0.0767(7) 0.232(3) 0.048(6) Uiso 1 1 d . . .
H14 H 0.885(3) 0.0443(7) 0.530(2) 0.042(6) Uiso 1 1 d . . .
H15 H 0.780(4) 0.0523(8) 0.258(3) 0.061(7) Uiso 1 1 d . . .
H16 H 1.018(3) 0.1148(6) 0.273(2) 0.042(5) Uiso 1 1 d . . .
H17 H 0.936(3) 0.1608(6) 0.506(2) 0.049(6) Uiso 1 1 d . . .
H21 H 0.450(5) 0.0516(10) 0.972(4) 0.100(10) Uiso 1 1 d . . .
H22 H 0.296(4) 0.0089(11) 0.925(3) 0.086(9) Uiso 1 1 d . . .
H31 H -0.019(4) 0.0593(8) 0.886(3) 0.068(7) Uiso 1 1 d . . .
H32 H 0.078(4) 0.0540(8) 1.054(3) 0.062(7) Uiso 1 1 d . . .
H41 H 0.138(4) 0.1260(8) 0.760(3) 0.053(7) Uiso 1 1 d . . .
H42 H -0.067(5) 0.1440(9) 0.833(3) 0.082(9) Uiso 1 1 d . . .
H51 H 0.147(4) 0.1953(10) 0.953(3) 0.088(9) Uiso 1 1 d . . .
H52 H 0.113(4) 0.2016(10) 0.777(3) 0.090(9) Uiso 1 1 d . . .
H61 H 0.455(5) 0.2385(9) 0.939(3) 0.083(8) Uiso 1 1 d . . .
H62 H 0.679(4) 0.2110(8) 0.894(3) 0.071(8) Uiso 1 1 d . . .
H71 H 0.626(4) 0.2677(8) 0.733(3) 0.057(7) Uiso 1 1 d . . .
H72 H 0.384(4) 0.2527(9) 0.684(3) 0.070(8) Uiso 1 1 d . . .
H121 H 0.274(4) 0.0588(8) 0.441(3) 0.069(7) Uiso 1 1 d . . .
H122 H 0.338(3) 0.1071(7) 0.508(2) 0.046(6) Uiso 1 1 d . . .
H181 H 0.759(4) 0.1736(9) 0.141(3) 0.075(8) Uiso 1 1 d . . .
H182 H 0.699(4) 0.1204(8) 0.097(3) 0.056(7) Uiso 1 1 d . . .
O1 O 0.6743(3) 0.01921(6) 0.78052(19) 0.0679(5) Uani 1 1 d . . .
O2 O 0.3484(3) 0.05099(5) 0.75535(16) 0.0550(4) Uani 1 1 d . . .
O3 O 0.1416(3) 0.11012(6) 0.97293(17) 0.0666(5) Uani 1 1 d . . .
O4 O 0.4113(3) 0.17621(6) 0.85241(19) 0.0665(5) Uani 1 1 d . . .
O5 O 0.6346(3) 0.21570(5) 0.61128(18) 0.0593(5) Uani 1 1 d . . .
O6 O 0.3148(3) 0.20014(6) 0.5006(2) 0.0720(5) 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 0.0479(14) 0.0498(12) 0.0479(14) 0.0033(11) -0.0007(11) -0.0061(10)
C2 0.082(2) 0.0642(17) 0.0391(14) 0.0033(12) 0.0128(13) -0.0012(14)
C3 0.0671(19) 0.0771(18) 0.0441(16) 0.0018(13) 0.0121(14) -0.0168(13)
C4 0.073(2) 0.0740(18) 0.0543(18) -0.0007(14) 0.0116(15) 0.0135(14)
C5 0.074(2) 0.0658(17) 0.073(2) -0.0008(15) 0.0181(16) 0.0155(14)
C6 0.080(2) 0.0602(16) 0.0573(17) -0.0054(13) 0.0024(15) 0.0028(14)
C7 0.084(2) 0.0464(14) 0.0598(17) -0.0093(12) 0.0001(15) -0.0033(14)
C8 0.0543(15) 0.0447(12) 0.0480(14) 0.0043(10) -0.0039(11) -0.0006(10)
C9 0.0480(14) 0.0460(12) 0.0414(13) 0.0064(9) -0.0012(10) -0.0059(9)
C10 0.0510(14) 0.0566(13) 0.0355(13) 0.0052(10) -0.0039(10) -0.0032(11)
C11 0.0477(13) 0.0556(13) 0.0356(12) -0.0060(10) -0.0008(10) -0.0090(10)
C12 0.0444(14) 0.0545(13) 0.0449(14) 0.0010(11) 0.0050(10) -0.0077(11)
C13 0.0485(13) 0.0421(11) 0.0431(13) -0.0009(10) 0.0047(10) -0.0038(9)
C14 0.0483(14) 0.0468(12) 0.0559(15) 0.0008(11) 0.0027(12) 0.0045(10)
C15 0.0519(14) 0.0522(13) 0.0472(14) -0.0068(11) 0.0126(11) -0.0036(10)
C16 0.0416(14) 0.0632(14) 0.0479(14) 0.0020(11) 0.0095(11) -0.0043(10)
C17 0.0476(14) 0.0520(12) 0.0438(14) 0.0029(10) 0.0007(11) -0.0119(10)
C18 0.0657(17) 0.0683(17) 0.0411(15) 0.0008(13) 0.0043(12) -0.0126(12)
O1 0.0610(11) 0.0798(12) 0.0623(12) 0.0181(9) -0.0044(9) 0.0022(9)
O2 0.0606(11) 0.0647(10) 0.0402(9) 0.0049(7) 0.0078(8) 0.0033(7)
O3 0.0881(13) 0.0644(11) 0.0477(10) -0.0041(8) 0.0092(9) -0.0038(9)
O4 0.0680(12) 0.0586(10) 0.0737(12) 0.0043(9) 0.0113(9) 0.0096(8)
O5 0.0637(11) 0.0581(10) 0.0559(11) -0.0100(8) 0.0013(8) -0.0078(8)
O6 0.0559(12) 0.0806(12) 0.0784(13) -0.0160(10) -0.0111(9) 0.0152(9)

_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 O1 1.217(3) . ?
C1 O2 1.344(3) . ?
C1 C13 1.469(3) . ?
C2 O2 1.448(3) . ?
C2 C3 1.483(4) . ?
C2 H21 1.08(3) . ?
C2 H22 0.92(3) . ?
C3 O3 1.411(3) . ?
C3 H31 1.03(3) . ?
C3 H32 0.97(3) . ?
C4 O3 1.419(3) . ?
C4 C5 1.497(4) . ?
C4 H41 0.90(2) . ?
C4 H42 0.96(3) . ?
C5 O4 1.419(3) . ?
C5 H51 0.96(3) . ?
C5 H52 1.04(3) . ?
C6 O4 1.409(3) . ?
C6 C7 1.501(4) . ?
C6 H61 1.03(3) . ?
C6 H62 0.98(3) . ?
C7 O5 1.442(3) . ?
C7 H71 0.94(2) . ?
C7 H72 1.03(3) . ?
C8 O6 1.202(3) . ?
C8 O5 1.347(3) . ?
C8 C9 1.470(3) . ?
C9 C17 1.335(3) . ?
C9 C10 1.528(3) . ?
C10 C18 1.533(3) . ?
C10 C11 1.556(3) . ?
C10 H10 1.01(2) . ?
C11 C12 1.539(3) . ?
C11 C15 1.570(3) . ?
C11 H11 0.93(2) . ?
C12 C13 1.500(3) . ?
C12 H121 0.95(3) . ?
C12 H122 1.03(2) . ?
C13 C14 1.328(3) . ?
C14 C15 1.490(3) . ?
C14 H14 0.95(2) . ?
C15 C16 1.574(3) . ?
C15 H15 0.99(2) . ?
C16 C17 1.511(3) . ?
C16 C18 1.536(3) . ?
C16 H16 0.99(2) . ?
C17 H17 1.01(2) . ?
C18 H181 1.08(3) . ?
C18 H182 0.92(2) . ?

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
O1 C1 O2 122.8(2) . . ?
O1 C1 C13 125.5(2) . . ?
O2 C1 C13 111.69(19) . . ?
O2 C2 C3 108.7(2) . . ?
O2 C2 H21 105.6(17) . . ?
C3 C2 H21 111.1(16) . . ?
O2 C2 H22 113.5(17) . . ?
C3 C2 H22 108.8(17) . . ?
H21 C2 H22 109(2) . . ?
O3 C3 C2 113.2(2) . . ?
O3 C3 H31 105.4(14) . . ?
C2 C3 H31 117.0(13) . . ?
O3 C3 H32 101.0(14) . . ?
C2 C3 H32 111.2(14) . . ?
H31 C3 H32 107.7(19) . . ?
O3 C4 C5 108.5(2) . . ?
O3 C4 H41 113.9(15) . . ?
C5 C4 H41 101.4(15) . . ?
O3 C4 H42 116.1(17) . . ?
C5 C4 H42 102.5(17) . . ?
H41 C4 H42 113(2) . . ?
O4 C5 C4 108.6(2) . . ?
O4 C5 H51 112.3(17) . . ?
C4 C5 H51 108.7(17) . . ?
O4 C5 H52 116.4(16) . . ?
C4 C5 H52 104.9(16) . . ?
H51 C5 H52 106(2) . . ?
O4 C6 C7 112.9(2) . . ?
O4 C6 H61 109.9(16) . . ?
C7 C6 H61 105.1(15) . . ?
O4 C6 H62 111.1(15) . . ?
C7 C6 H62 105.0(15) . . ?
H61 C6 H62 113(2) . . ?
O5 C7 C6 109.9(2) . . ?
O5 C7 H71 102.9(14) . . ?
C6 C7 H71 110.1(15) . . ?
O5 C7 H72 110.2(14) . . ?
C6 C7 H72 112.1(14) . . ?
H71 C7 H72 111(2) . . ?
O6 C8 O5 123.7(2) . . ?
O6 C8 C9 124.2(2) . . ?
O5 C8 C9 112.1(2) . . ?
C17 C9 C8 128.3(2) . . ?
C17 C9 C10 107.8(2) . . ?
C8 C9 C10 123.7(2) . . ?
C9 C10 C18 99.12(18) . . ?
C9 C10 C11 107.43(17) . . ?
C18 C10 C11 100.28(19) . . ?
C9 C10 H10 112.3(12) . . ?
C18 C10 H10 114.5(12) . . ?
C11 C10 H10 120.6(12) . . ?
C12 C11 C10 118.34(19) . . ?
C12 C11 C15 106.01(18) . . ?
C10 C11 C15 102.56(17) . . ?
C12 C11 H11 111.4(13) . . ?
C10 C11 H11 106.7(13) . . ?
C15 C11 H11 111.5(13) . . ?
C13 C12 C11 104.48(18) . . ?
C13 C12 H121 113.9(15) . . ?
C11 C12 H121 111.4(14) . . ?
C13 C12 H122 110.8(11) . . ?
C11 C12 H122 109.5(11) . . ?
H121 C12 H122 106.7(18) . . ?
C14 C13 C1 123.4(2) . . ?
C14 C13 C12 112.7(2) . . ?
C1 C13 C12 123.87(19) . . ?
C13 C14 C15 112.7(2) . . ?
C13 C14 H14 125.2(12) . . ?
C15 C14 H14 122.1(12) . . ?
C14 C15 C11 104.07(18) . . ?
C14 C15 C16 119.11(19) . . ?
C11 C15 C16 102.69(18) . . ?
C14 C15 H15 111.7(14) . . ?
C11 C15 H15 112.8(14) . . ?
C16 C15 H15 106.3(13) . . ?
C17 C16 C18 99.84(19) . . ?
C17 C16 C15 106.91(18) . . ?
C18 C16 C15 99.82(18) . . ?
C17 C16 H16 116.5(11) . . ?
C18 C16 H16 116.1(11) . . ?
C15 C16 H16 115.3(11) . . ?
C9 C17 C16 107.4(2) . . ?
C9 C17 H17 127.3(12) . . ?
C16 C17 H17 125.2(12) . . ?
C10 C18 C16 94.53(18) . . ?
C10 C18 H181 109.5(14) . . ?
C16 C18 H181 115.9(13) . . ?
C10 C18 H182 112.1(15) . . ?
C16 C18 H182 112.2(14) . . ?
H181 C18 H182 111(2) . . ?
C1 O2 C2 116.08(19) . . ?
C3 O3 C4 114.5(2) . . ?
C6 O4 C5 114.0(2) . . ?
C8 O5 C7 117.2(2) . . ?

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 C2 C3 O3 -72.2(3) . . . . ?
O3 C4 C5 O4 67.1(3) . . . . ?
O4 C6 C7 O5 -60.6(3) . . . . ?
O6 C8 C9 C17 -168.9(2) . . . . ?
O5 C8 C9 C17 11.7(3) . . . . ?
O6 C8 C9 C10 6.0(3) . . . . ?
O5 C8 C9 C10 -173.39(18) . . . . ?
C17 C9 C10 C18 -33.3(2) . . . . ?
C8 C9 C10 C18 150.9(2) . . . . ?
C17 C9 C10 C11 70.6(2) . . . . ?
C8 C9 C10 C11 -105.2(2) . . . . ?
C9 C10 C11 C12 50.5(3) . . . . ?
C18 C10 C11 C12 153.5(2) . . . . ?
C9 C10 C11 C15 -65.7(2) . . . . ?
C18 C10 C11 C15 37.4(2) . . . . ?
C10 C11 C12 C13 -113.6(2) . . . . ?
C15 C11 C12 C13 0.7(2) . . . . ?
O1 C1 C13 C14 -8.5(4) . . . . ?
O2 C1 C13 C14 172.1(2) . . . . ?
O1 C1 C13 C12 172.2(2) . . . . ?
O2 C1 C13 C12 -7.2(3) . . . . ?
C11 C12 C13 C14 -0.2(3) . . . . ?
C11 C12 C13 C1 179.19(19) . . . . ?
C1 C13 C14 C15 -179.8(2) . . . . ?
C12 C13 C14 C15 -0.5(3) . . . . ?
C13 C14 C15 C11 0.9(3) . . . . ?
C13 C14 C15 C16 114.4(2) . . . . ?
C12 C11 C15 C14 -0.9(2) . . . . ?
C10 C11 C15 C14 123.82(19) . . . . ?
C12 C11 C15 C16 -125.71(19) . . . . ?
C10 C11 C15 C16 -1.0(2) . . . . ?
C14 C15 C16 C17 -46.3(3) . . . . ?
C11 C15 C16 C17 67.9(2) . . . . ?
C14 C15 C16 C18 -149.8(2) . . . . ?
C11 C15 C16 C18 -35.6(2) . . . . ?
C8 C9 C17 C16 175.3(2) . . . . ?
C10 C9 C17 C16 -0.3(2) . . . . ?
C18 C16 C17 C9 33.7(2) . . . . ?
C15 C16 C17 C9 -69.8(2) . . . . ?
C9 C10 C18 C16 50.4(2) . . . . ?
C11 C10 C18 C16 -59.3(2) . . . . ?
C17 C16 C18 C10 -51.1(2) . . . . ?
C15 C16 C18 C10 58.2(2) . . . . ?
O1 C1 O2 C2 5.8(3) . . . . ?
C13 C1 O2 C2 -174.8(2) . . . . ?
C3 C2 O2 C1 166.7(2) . . . . ?
C2 C3 O3 C4 93.9(3) . . . . ?
C5 C4 O3 C3 -160.6(2) . . . . ?
C7 C6 O4 C5 -82.0(3) . . . . ?
C4 C5 O4 C6 -179.8(2) . . . . ?
O6 C8 O5 C7 5.0(3) . . . . ?
C9 C8 O5 C7 -175.61(18) . . . . ?
C6 C7 O5 C8 101.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        26.55
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         0.276
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.053