# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182

_publ_contact_author_name        'Jian Zhang'
_publ_contact_author_address     
;
The State Key Laboratory of Structural Chemistry,
Fujian Institute of Research on the Structure of Matter,
the Chinese Academy of Sciences,
Fuzhou, Fujian 350002,
P. R. China
;
_publ_contact_author_email       zhj@fjirsm.ac.cn
loop_
_publ_author_name
'Jian Zhang'
'Yan-Xi Tan'
'Fei Wang'
'Yao Kang'

data_1_CCDC_778838
_database_code_depnum_ccdc_archive 'CCDC 778838'
#TrackingRef '- a.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H32 In2 N2 O14'
_chemical_formula_weight         874.23

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'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Fddd

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'

_cell_length_a                   19.4031(2)
_cell_length_b                   20.0950(2)
_cell_length_c                   46.4769(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     18121.6(3)
_cell_formula_units_Z            16
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9910
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.47

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7136
_exptl_absorpt_coefficient_mu    1.075
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38262
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         27.59
_reflns_number_total             4950
_reflns_number_gt                3651
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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.
The atoms (C16, C17, C18, O7, N1, N2, O8, C20) are left isotropic, because
they are parts of the disordered guest molecules in the main framework and
exhibit high Ueq values compared to other atoms.
;

_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^)+(0.0905P)^2^+37.0493P] 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    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4950
_refine_ls_number_parameters     222
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0415
_refine_ls_wR_factor_ref         0.1527
_refine_ls_wR_factor_gt          0.1368
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_restrained_S_all      1.155
_refine_ls_shift/su_max          0.001
_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
In1 In 0.5000 0.7500 0.7500 0.03555(16) Uani 1 2 d S . .
In2 In 0.3750 0.8750 0.763811(9) 0.03871(16) Uani 1 2 d S . .
O6 O 0.40040(17) 0.77421(15) 0.76325(7) 0.0468(8) Uani 1 1 d . . .
O2 O 0.50966(19) 0.69312(17) 0.78903(7) 0.0581(10) Uani 1 1 d . . .
O1 O 0.5559(2) 0.60023(18) 0.77130(8) 0.0592(10) Uani 1 1 d . . .
O4 O 0.79225(19) 0.39508(18) 0.95602(7) 0.0564(9) Uani 1 1 d . . .
O3 O 0.70890(17) 0.33244(17) 0.97562(8) 0.0530(9) Uani 1 1 d . . .
C14 C 0.7305(3) 0.3772(3) 0.95942(11) 0.0496(12) Uani 1 1 d . . .
C12 C 0.6090(3) 0.3951(3) 0.94418(15) 0.0748(19) Uani 1 1 d . . .
H12A H 0.5966 0.3586 0.9553 0.090 Uiso 1 1 calc R . .
C8 C 0.6937(4) 0.4702(4) 0.92665(17) 0.091(2) Uani 1 1 d . . .
H8A H 0.7392 0.4844 0.9256 0.109 Uiso 1 1 calc R . .
C1 C 0.5299(3) 0.6039(3) 0.82066(11) 0.0565(14) Uani 1 1 d . . .
C4 C 0.5291(4) 0.5486(5) 0.87497(15) 0.098(3) Uani 1 1 d . . .
C3 C 0.5629(4) 0.5164(4) 0.85276(18) 0.098(3) Uani 1 1 d . . .
H3A H 0.5856 0.4765 0.8562 0.117 Uiso 1 1 calc R . .
C7 C 0.6768(3) 0.4143(3) 0.94260(12) 0.0573(14) Uani 1 1 d . . .
C2 C 0.5630(3) 0.5432(3) 0.82570(13) 0.0706(18) Uani 1 1 d . . .
H2A H 0.5851 0.5211 0.8107 0.085 Uiso 1 1 calc R . .
C13 C 0.5320(3) 0.6340(2) 0.79171(11) 0.0488(12) Uani 1 1 d . . .
O5 O 0.5234(3) 0.5211(4) 0.90219(12) 0.143(3) Uani 1 1 d . . .
C6 C 0.4948(4) 0.6340(3) 0.84328(13) 0.076(2) Uani 1 1 d . . .
H6A H 0.4716 0.6738 0.8400 0.091 Uiso 1 1 calc R . .
C11 C 0.5591(4) 0.4298(4) 0.92922(16) 0.092(2) Uani 1 1 d . . .
H11A H 0.5135 0.4156 0.9298 0.110 Uiso 1 1 calc R . .
C5 C 0.4938(4) 0.6068(5) 0.86998(14) 0.099(3) Uani 1 1 d . . .
H5A H 0.4694 0.6272 0.8848 0.118 Uiso 1 1 calc R . .
C10 C 0.5758(4) 0.4836(5) 0.91388(15) 0.096(3) Uani 1 1 d . . .
C9 C 0.6420(5) 0.5050(5) 0.9121(2) 0.119(3) Uani 1 1 d . . .
H9A H 0.6528 0.5426 0.9013 0.143 Uiso 1 1 calc R . .
C17 C 0.2757(10) 0.7006(10) 0.7514(4) 0.119(6) Uiso 0.50 1 d PD . .
H17A H 0.2445 0.7014 0.7354 0.178 Uiso 0.50 1 calc PR . .
H17B H 0.3223 0.6983 0.7445 0.178 Uiso 0.50 1 calc PR . .
H17C H 0.2700 0.7404 0.7626 0.178 Uiso 0.50 1 calc PR . .
C16 C 0.3087(15) 0.6344(13) 0.7937(5) 0.219(15) Uiso 0.50 1 d PD . .
H16A H 0.3158 0.5915 0.8006 0.263 Uiso 0.50 1 calc PR . .
N1 N 0.2614(14) 0.6435(12) 0.7690(5) 0.318(19) Uiso 0.50 1 d PD . .
O7 O 0.3403(13) 0.6820(14) 0.8060(5) 0.258(11) Uiso 0.50 1 d PD . .
C18 C 0.1966(19) 0.606(3) 0.7660(11) 0.47(4) Uiso 0.50 1 d PD . .
H18A H 0.1744 0.6186 0.7483 0.699 Uiso 0.50 1 calc PR . .
H18B H 0.1668 0.6165 0.7819 0.699 Uiso 0.50 1 calc PR . .
H18C H 0.2062 0.5594 0.7658 0.699 Uiso 0.50 1 calc PR . .
N2 N -0.3750 0.6624(12) 0.6250 0.290(14) Uiso 1 2 d S . .
O8 O -0.368(3) 0.7293(18) 0.5982(10) 0.75(4) Uiso 1 1 d . . .
C20 C -0.303(2) 0.667(2) 0.6089(10) 0.51(3) Uiso 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
In1 0.0458(3) 0.0285(3) 0.0323(3) -0.00335(16) -0.00851(17) 0.01520(17)
In2 0.0457(3) 0.0352(3) 0.0353(3) 0.000 0.000 0.01767(18)
O6 0.0489(19) 0.0327(17) 0.059(2) 0.0018(15) -0.0011(16) 0.0157(14)
O2 0.084(3) 0.053(2) 0.0366(18) 0.0076(16) -0.0009(17) 0.0320(19)
O1 0.079(3) 0.047(2) 0.051(2) 0.0063(17) 0.0212(19) 0.0217(18)
O4 0.062(2) 0.059(2) 0.048(2) 0.0168(17) -0.0135(17) -0.0173(18)
O3 0.052(2) 0.0455(19) 0.061(2) 0.0219(17) -0.0095(16) -0.0118(15)
C14 0.057(3) 0.048(3) 0.044(3) 0.009(2) -0.018(2) -0.008(2)
C12 0.067(4) 0.079(4) 0.078(4) 0.032(4) -0.016(3) -0.007(3)
C8 0.076(4) 0.098(5) 0.099(5) 0.059(5) -0.004(4) -0.005(4)
C1 0.061(3) 0.065(3) 0.043(3) 0.019(2) 0.000(2) 0.028(3)
C4 0.090(5) 0.140(7) 0.063(4) 0.060(4) 0.019(4) 0.047(5)
C3 0.089(5) 0.099(5) 0.105(6) 0.065(5) 0.022(4) 0.053(4)
C7 0.066(3) 0.057(3) 0.049(3) 0.021(3) -0.012(3) -0.006(3)
C2 0.070(4) 0.075(4) 0.067(4) 0.027(3) 0.010(3) 0.038(3)
C13 0.053(3) 0.051(3) 0.043(3) 0.006(2) 0.004(2) 0.020(2)
O5 0.117(4) 0.222(7) 0.091(4) 0.098(5) 0.030(3) 0.085(5)
C6 0.095(5) 0.084(4) 0.049(3) 0.019(3) 0.006(3) 0.045(4)
C11 0.063(4) 0.135(7) 0.077(5) 0.044(5) -0.009(3) 0.010(4)
C5 0.105(6) 0.143(7) 0.049(4) 0.037(4) 0.016(3) 0.059(5)
C10 0.074(5) 0.147(7) 0.067(4) 0.060(5) 0.007(3) 0.039(5)
C9 0.124(7) 0.121(7) 0.114(7) 0.091(6) 0.007(6) 0.020(5)

_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
In1 O6 2.086(3) 21_666 ?
In1 O6 2.086(3) . ?
In1 O2 2.152(3) . ?
In1 O2 2.152(3) 21_666 ?
In1 O3 2.160(3) 27_565 ?
In1 O3 2.160(3) 15_556 ?
In2 O6 2.085(3) . ?
In2 O6 2.085(3) 2_565 ?
In2 O4 2.170(3) 15_556 ?
In2 O4 2.170(3) 16_456 ?
In2 O1 2.170(4) 26_566 ?
In2 O1 2.170(4) 21_666 ?
O2 C13 1.270(5) . ?
O1 C13 1.255(6) . ?
O1 In2 2.170(4) 21_666 ?
O4 C14 1.260(6) . ?
O4 In2 2.170(3) 15_546 ?
O3 C14 1.245(6) . ?
O3 In1 2.160(3) 15_546 ?
C14 C7 1.501(7) . ?
C12 C7 1.374(8) . ?
C12 C11 1.381(8) . ?
C12 H12A 0.9300 . ?
C8 C7 1.385(8) . ?
C8 C9 1.398(10) . ?
C8 H8A 0.9300 . ?
C1 C6 1.391(8) . ?
C1 C2 1.398(7) . ?
C1 C13 1.476(7) . ?
C4 C5 1.375(10) . ?
C4 C3 1.382(11) . ?
C4 O5 1.385(7) . ?
C3 C2 1.368(9) . ?
C3 H3A 0.9300 . ?
C2 H2A 0.9300 . ?
O5 C10 1.377(8) . ?
C6 C5 1.356(8) . ?
C6 H6A 0.9300 . ?
C11 C10 1.335(10) . ?
C11 H11A 0.9300 . ?
C5 H5A 0.9300 . ?
C10 C9 1.357(11) . ?
C9 H9A 0.9300 . ?
C17 N1 1.437(18) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C16 O7 1.272(17) . ?
C16 N1 1.481(17) . ?
C16 H16A 0.9300 . ?
N1 C18 1.470(19) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
N2 N2 1.50(5) 14_355 ?
N2 C20 1.59(5) . ?
N2 C20 1.59(5) 11_355 ?
N2 O8 1.84(4) 11_355 ?
N2 O8 1.84(4) . ?
O8 C20 1.84(5) . ?

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
O6 In1 O6 180.000(2) 21_666 . ?
O6 In1 O2 92.53(13) 21_666 . ?
O6 In1 O2 87.47(13) . . ?
O6 In1 O2 87.47(13) 21_666 21_666 ?
O6 In1 O2 92.53(13) . 21_666 ?
O2 In1 O2 180.00(10) . 21_666 ?
O6 In1 O3 90.47(13) 21_666 27_565 ?
O6 In1 O3 89.53(13) . 27_565 ?
O2 In1 O3 93.84(15) . 27_565 ?
O2 In1 O3 86.16(15) 21_666 27_565 ?
O6 In1 O3 89.53(13) 21_666 15_556 ?
O6 In1 O3 90.47(13) . 15_556 ?
O2 In1 O3 86.16(15) . 15_556 ?
O2 In1 O3 93.84(15) 21_666 15_556 ?
O3 In1 O3 180.00(18) 27_565 15_556 ?
O6 In2 O6 178.56(19) . 2_565 ?
O6 In2 O4 90.79(13) . 15_556 ?
O6 In2 O4 90.14(13) 2_565 15_556 ?
O6 In2 O4 90.14(13) . 16_456 ?
O6 In2 O4 90.79(13) 2_565 16_456 ?
O4 In2 O4 99.5(2) 15_556 16_456 ?
O6 In2 O1 85.05(13) . 26_566 ?
O6 In2 O1 93.86(13) 2_565 26_566 ?
O4 In2 O1 170.40(14) 15_556 26_566 ?
O4 In2 O1 89.21(16) 16_456 26_566 ?
O6 In2 O1 93.86(13) . 21_666 ?
O6 In2 O1 85.05(13) 2_565 21_666 ?
O4 In2 O1 89.21(16) 15_556 21_666 ?
O4 In2 O1 170.40(14) 16_456 21_666 ?
O1 In2 O1 82.5(2) 26_566 21_666 ?
In2 O6 In1 116.70(16) . . ?
C13 O2 In1 127.5(3) . . ?
C13 O1 In2 132.2(4) . 21_666 ?
C14 O4 In2 124.7(3) . 15_546 ?
C14 O3 In1 138.3(3) . 15_546 ?
O3 C14 O4 127.0(5) . . ?
O3 C14 C7 116.1(5) . . ?
O4 C14 C7 116.9(4) . . ?
C7 C12 C11 120.1(6) . . ?
C7 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C7 C8 C9 119.7(7) . . ?
C7 C8 H8A 120.1 . . ?
C9 C8 H8A 120.1 . . ?
C6 C1 C2 118.5(5) . . ?
C6 C1 C13 121.6(4) . . ?
C2 C1 C13 119.9(5) . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 O5 116.9(7) . . ?
C3 C4 O5 122.3(7) . . ?
C2 C3 C4 120.3(6) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C12 C7 C8 118.8(5) . . ?
C12 C7 C14 119.9(5) . . ?
C8 C7 C14 121.2(5) . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2A 120.1 . . ?
C1 C2 H2A 120.1 . . ?
O1 C13 O2 123.9(5) . . ?
O1 C13 C1 118.5(4) . . ?
O2 C13 C1 117.6(4) . . ?
C10 O5 C4 121.2(6) . . ?
C5 C6 C1 121.5(6) . . ?
C5 C6 H6A 119.2 . . ?
C1 C6 H6A 119.2 . . ?
C10 C11 C12 120.6(7) . . ?
C10 C11 H11A 119.7 . . ?
C12 C11 H11A 119.7 . . ?
C6 C5 C4 119.4(6) . . ?
C6 C5 H5A 120.3 . . ?
C4 C5 H5A 120.3 . . ?
C11 C10 C9 121.2(6) . . ?
C11 C10 O5 118.4(7) . . ?
C9 C10 O5 120.1(7) . . ?
C10 C9 C8 119.4(6) . . ?
C10 C9 H9A 120.3 . . ?
C8 C9 H9A 120.3 . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O7 C16 N1 123.7(18) . . ?
O7 C16 H16A 118.2 . . ?
N1 C16 H16A 118.2 . . ?
C17 N1 C18 121(3) . . ?
C17 N1 C16 114.8(16) . . ?
C18 N1 C16 123(2) . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 N2 C20 93(2) 14_355 . ?
N2 N2 C20 93(2) 14_355 11_355 ?
C20 N2 C20 173(4) . 11_355 ?
N2 N2 O8 137.0(14) 14_355 11_355 ?
C20 N2 O8 110(3) . 11_355 ?
C20 N2 O8 64.4(18) 11_355 11_355 ?
N2 N2 O8 137.0(14) 14_355 . ?
C20 N2 O8 64.4(18) . . ?
C20 N2 O8 110(3) 11_355 . ?
O8 N2 O8 86(3) 11_355 . ?
N2 O8 C20 51.2(19) . . ?
N2 C20 O8 64(2) . . ?

_diffrn_measured_fraction_theta_max 0.940
_diffrn_reflns_theta_full        27.59
_diffrn_measured_fraction_theta_full 0.940
_refine_diff_density_max         1.233
_refine_diff_density_min         -0.755
_refine_diff_density_rms         0.197