# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound-1
_database_code_depnum_ccdc_archive 'CCDC 1444601'
_audit_update_record             
;
2015-12-29 deposited with the CCDC.
2016-03-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H32 Mg2 N2 O14'
_chemical_formula_weight         741.23

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'
Mg Mg 0.0486 0.0363 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   16.469(2)
_cell_length_b                   15.5386(12)
_cell_length_c                   14.540(3)
_cell_angle_alpha                90
_cell_angle_beta                 117.500(19)
_cell_angle_gamma                90
_cell_volume                     3300.4(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1805
_cell_measurement_theta_min      2.4855
_cell_measurement_theta_max      29.2542

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_F_000             1544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_absorpt_coefficient_mu    0.150
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.80023
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2083
_diffrn_reflns_number            6976
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.622
_diffrn_reflns_theta_max         27.096
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3578
_reflns_number_gt                2797
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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     
'w=1/[σ²(Fo²)+(0.0740P)²+12.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3578
_refine_ls_number_parameters     255
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0586
_refine_ls_wR_factor_ref         0.1727
_refine_ls_wR_factor_gt          0.1587
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.023
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.5000 0.49169(7) 0.7500 0.0136(3) Uani 1 2 d DS T P . .
Mg2 Mg 0.5000 0.5000 0.5000 0.0127(3) Uani 1 2 d DS . P . .
O1 O 0.58799(15) 0.58415(14) 0.75518(16) 0.0305(5) Uani 1 1 d . . . . .
O2 O 0.57563(15) 0.59357(13) 0.59774(15) 0.0294(5) Uani 1 1 d . . . . .
O3 O 0.91706(14) 0.90533(13) 0.91490(15) 0.0275(5) Uani 1 1 d . . . . .
O4 O 0.91903(14) 0.89850(13) 0.76338(15) 0.0279(5) Uani 1 1 d . . . . .
O5 O 0.41553(12) 0.48161(12) 0.57755(14) 0.0186(4) Uani 1 1 d D . . . .
H5A H 0.3643(16) 0.5076(16) 0.543(2) 0.028 Uiso 1 1 d D U . . .
H5B H 0.407(2) 0.4312(11) 0.5740(11) 0.028 Uiso 1 1 d D U . . .
C1 C 0.60618(17) 0.61723(16) 0.6889(2) 0.0181(5) Uani 1 1 d . . . . .
C2 C 0.67375(18) 0.68976(16) 0.7234(2) 0.0179(5) Uani 1 1 d . . . . .
C3 C 0.75630(19) 0.67662(18) 0.8098(2) 0.0244(6) Uani 1 1 d . . . . .
H3A H 0.7664 0.6258 0.8473 0.029 Uiso 1 1 calc R U . . .
C4 C 0.82505(19) 0.73884(18) 0.8415(2) 0.0252(6) Uani 1 1 d . . . . .
H4A H 0.8806 0.7287 0.8999 0.030 Uiso 1 1 calc R U . . .
C5 C 0.81237(17) 0.81395(16) 0.78872(19) 0.0173(5) Uani 1 1 d . . . . .
C6 C 0.72647(17) 0.83208(17) 0.7019(2) 0.0183(5) Uani 1 1 d . . . . .
C7 C 0.7077(2) 0.91255(18) 0.6502(2) 0.0275(6) Uani 1 1 d . . . . .
H7 H 0.7533 0.9543 0.6714 0.033 Uiso 1 1 calc R U . . .
C8 C 0.6241(2) 0.9295(2) 0.5701(3) 0.0363(8) Uani 1 1 d . . . . .
H8A H 0.6126 0.9827 0.5371 0.044 Uiso 1 1 calc R U . . .
C9 C 0.5551(2) 0.8671(2) 0.5370(3) 0.0405(9) Uani 1 1 d . . . . .
H9C H 0.4980 0.8791 0.4818 0.049 Uiso 1 1 calc R U . . .
C10 C 0.57060(19) 0.7889(2) 0.5846(2) 0.0301(7) Uani 1 1 d . . . . .
H10C H 0.5239 0.7482 0.5614 0.036 Uiso 1 1 calc R U . . .
C11 C 0.65671(17) 0.76871(17) 0.6688(2) 0.0181(5) Uani 1 1 d . . . . .
C12 C 0.88857(17) 0.87817(16) 0.8247(2) 0.0171(5) Uani 1 1 d . . . . .
N1 N 0.23508(18) 0.5280(2) 0.4363(2) 0.0404(7) Uani 1 1 d . . . . .
C13 C 0.1936(2) 0.4590(3) 0.3807(3) 0.0464(9) Uani 1 1 d . . . . .
H13 H 0.2280 0.4090 0.3921 0.056 Uiso 1 1 calc R U . . .
C14 C 0.1032(2) 0.4564(3) 0.3071(3) 0.0450(9) Uani 1 1 d . . . . .
H14 H 0.0780 0.4060 0.2705 0.054 Uiso 1 1 calc R U . . .
C15 C 0.0495(2) 0.5302(2) 0.2880(3) 0.0356(8) Uani 1 1 d . . . . .
C16 C 0.0929(2) 0.6028(2) 0.3435(3) 0.0375(8) Uani 1 1 d . . . . .
H16 H 0.0608 0.6543 0.3322 0.045 Uiso 1 1 calc R U . . .
C17 C 0.1842(2) 0.5991(2) 0.4159(3) 0.0396(8) Uani 1 1 d . . . . .
H17 H 0.2117 0.6489 0.4525 0.047 Uiso 1 1 calc R U . . .
O6 O 0.3593(3) 0.3131(2) 0.5645(3) 0.0879(12) Uani 1 1 d D . . . .
H6A H 0.371(5) 0.266(3) 0.601(4) 0.132 Uiso 1 1 d D U . . .
H6B H 0.366(5) 0.299(2) 0.512(3) 0.132 Uiso 1 1 d D U . . .
O7 O 0.6201(3) 0.6950(2) 0.9296(3) 0.0761(10) Uani 1 1 d D . . . .
H7A H 0.610(4) 0.661(3) 0.875(3) 0.114 Uiso 1 1 d D U . . .
H7B H 0.620(4) 0.658(3) 0.976(3) 0.114 Uiso 1 1 d D U . . .


_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
Mg1 O1 2.017(2) 2_656 ?
Mg1 O1 2.017(2) . ?
Mg1 O4 2.038(2) 3_445 ?
Mg1 O4 2.038(2) 4_646 ?
Mg1 O5 2.2418(19) . ?
Mg1 O5 2.2418(19) 2_656 ?
Mg1 Mg2 3.6372(7) 2_656 ?
Mg1 Mg2 3.6372(7) . ?
Mg2 O3 2.0000(19) 8_465 ?
Mg2 O3 2.0000(19) 4_646 ?
Mg2 O2 2.0126(19) . ?
Mg2 O2 2.0126(19) 5_666 ?
Mg2 O5 2.1764(18) 5_666 ?
Mg2 O5 2.1765(18) . ?
Mg2 Mg1 3.6372(7) 5_666 ?
O1 C1 1.244(3) . ?
O2 C1 1.237(3) . ?
O3 C12 1.244(3) . ?
O3 Mg2 2.0000(19) 4_656 ?
O4 C12 1.249(3) . ?
O4 Mg1 2.038(2) 3 ?
O5 H5A 0.859(17) . ?
O5 H5B 0.793(16) . ?
C1 C2 1.498(3) . ?
C2 C3 1.375(4) . ?
C2 C11 1.417(4) . ?
C3 C4 1.395(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.359(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.423(4) . ?
C5 C12 1.496(3) . ?
C6 C7 1.418(4) . ?
C6 C11 1.418(3) . ?
C7 C8 1.357(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.399(5) . ?
C8 H8A 0.9300 . ?
C9 C10 1.363(4) . ?
C9 H9C 0.9300 . ?
C10 C11 1.416(4) . ?
C10 H10C 0.9300 . ?
N1 C13 1.327(5) . ?
N1 C17 1.335(5) . ?
C13 C14 1.376(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.396(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.379(5) . ?
C15 C15 1.489(6) 2 ?
C16 C17 1.382(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
O6 H6A 0.869(19) . ?
O6 H6B 0.845(19) . ?
O7 H7A 0.905(19) . ?
O7 H7B 0.896(19) . ?

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 Mg1 O1 89.16(14) 2_656 . ?
O1 Mg1 O4 91.10(9) 2_656 3_445 ?
O1 Mg1 O4 173.24(8) . 3_445 ?
O1 Mg1 O4 173.24(8) 2_656 4_646 ?
O1 Mg1 O4 91.10(9) . 4_646 ?
O4 Mg1 O4 89.44(13) 3_445 4_646 ?
O1 Mg1 O5 86.78(8) 2_656 . ?
O1 Mg1 O5 98.95(8) . . ?
O4 Mg1 O5 87.80(8) 3_445 . ?
O4 Mg1 O5 86.51(8) 4_646 . ?
O1 Mg1 O5 98.95(8) 2_656 2_656 ?
O1 Mg1 O5 86.79(8) . 2_656 ?
O4 Mg1 O5 86.51(8) 3_445 2_656 ?
O4 Mg1 O5 87.80(8) 4_646 2_656 ?
O5 Mg1 O5 171.99(11) . 2_656 ?
O1 Mg1 Mg2 71.37(6) 2_656 2_656 ?
O1 Mg1 Mg2 105.60(6) . 2_656 ?
O4 Mg1 Mg2 68.15(6) 3_445 2_656 ?
O4 Mg1 Mg2 115.00(6) 4_646 2_656 ?
O5 Mg1 Mg2 146.50(5) . 2_656 ?
O5 Mg1 Mg2 34.01(5) 2_656 2_656 ?
O1 Mg1 Mg2 105.60(6) 2_656 . ?
O1 Mg1 Mg2 71.37(6) . . ?
O4 Mg1 Mg2 115.00(6) 3_445 . ?
O4 Mg1 Mg2 68.15(6) 4_646 . ?
O5 Mg1 Mg2 34.01(5) . . ?
O5 Mg1 Mg2 146.50(5) 2_656 . ?
Mg2 Mg1 Mg2 175.93(4) 2_656 . ?
O3 Mg2 O3 180.0 8_465 4_646 ?
O3 Mg2 O2 85.91(9) 8_465 . ?
O3 Mg2 O2 94.09(9) 4_646 . ?
O3 Mg2 O2 94.09(9) 8_465 5_666 ?
O3 Mg2 O2 85.91(9) 4_646 5_666 ?
O2 Mg2 O2 180.0 . 5_666 ?
O3 Mg2 O5 90.01(8) 8_465 5_666 ?
O3 Mg2 O5 89.99(8) 4_646 5_666 ?
O2 Mg2 O5 86.31(8) . 5_666 ?
O2 Mg2 O5 93.69(8) 5_666 5_666 ?
O3 Mg2 O5 89.98(8) 8_465 . ?
O3 Mg2 O5 90.02(8) 4_646 . ?
O2 Mg2 O5 93.68(8) . . ?
O2 Mg2 O5 86.31(8) 5_666 . ?
O5 Mg2 O5 180.0 5_666 . ?
O3 Mg2 Mg1 109.22(6) 8_465 . ?
O3 Mg2 Mg1 70.78(6) 4_646 . ?
O2 Mg2 Mg1 66.77(6) . . ?
O2 Mg2 Mg1 113.23(6) 5_666 . ?
O5 Mg2 Mg1 144.82(5) 5_666 . ?
O5 Mg2 Mg1 35.18(5) . . ?
O3 Mg2 Mg1 70.78(6) 8_465 5_666 ?
O3 Mg2 Mg1 109.22(6) 4_646 5_666 ?
O2 Mg2 Mg1 113.23(6) . 5_666 ?
O2 Mg2 Mg1 66.77(6) 5_666 5_666 ?
O5 Mg2 Mg1 35.18(5) 5_666 5_666 ?
O5 Mg2 Mg1 144.82(5) . 5_666 ?
Mg1 Mg2 Mg1 180.0 . 5_666 ?
C1 O1 Mg1 133.70(18) . . ?
C1 O2 Mg2 141.66(18) . . ?
C12 O3 Mg2 135.95(18) . 4_656 ?
C12 O4 Mg1 138.08(18) . 3 ?
Mg2 O5 Mg1 110.81(8) . . ?
Mg2 O5 H5A 109(2) . . ?
Mg1 O5 H5A 124(2) . . ?
Mg2 O5 H5B 103.2(12) . . ?
Mg1 O5 H5B 98.1(12) . . ?
H5A O5 H5B 110(2) . . ?
O2 C1 O1 125.7(2) . . ?
O2 C1 C2 117.0(2) . . ?
O1 C1 C2 117.3(2) . . ?
C3 C2 C11 119.8(2) . . ?
C3 C2 C1 117.5(2) . . ?
C11 C2 C1 122.6(2) . . ?
C2 C3 C4 120.6(3) . . ?
C2 C3 H3A 119.7 . . ?
C4 C3 H3A 119.7 . . ?
C5 C4 C3 121.2(3) . . ?
C5 C4 H4A 119.4 . . ?
C3 C4 H4A 119.4 . . ?
C4 C5 C6 120.1(2) . . ?
C4 C5 C12 119.3(2) . . ?
C6 C5 C12 120.5(2) . . ?
C7 C6 C11 119.2(2) . . ?
C7 C6 C5 122.0(2) . . ?
C11 C6 C5 118.8(2) . . ?
C8 C7 C6 120.8(3) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 120.1(3) . . ?
C7 C8 H8A 119.9 . . ?
C9 C8 H8A 119.9 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9C 119.6 . . ?
C8 C9 H9C 119.6 . . ?
C9 C10 C11 121.0(3) . . ?
C9 C10 H10C 119.5 . . ?
C11 C10 H10C 119.5 . . ?
C10 C11 C2 122.4(2) . . ?
C10 C11 C6 118.1(2) . . ?
C2 C11 C6 119.4(2) . . ?
O3 C12 O4 125.9(2) . . ?
O3 C12 C5 116.2(2) . . ?
O4 C12 C5 117.9(2) . . ?
C13 N1 C17 116.1(3) . . ?
N1 C13 C14 124.4(4) . . ?
N1 C13 H13 117.8 . . ?
C14 C13 H13 117.8 . . ?
C13 C14 C15 119.3(4) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 116.5(3) . . ?
C16 C15 C15 121.9(2) . 2 ?
C14 C15 C15 121.6(2) . 2 ?
C15 C16 C17 119.9(3) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
N1 C17 C16 123.7(3) . . ?
N1 C17 H17 118.1 . . ?
C16 C17 H17 118.1 . . ?
H6A O6 H6B 104(3) . . ?
H7A O7 H7B 103(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H5A N1 0.859(17) 1.99(2) 2.816(3) 160(3) .
O5 H5B O6 0.793(16) 1.977(19) 2.755(4) 167(3) .
O7 H7A O1 0.905(19) 2.00(2) 2.905(4) 179(6) .
O7 H7B O3 0.896(19) 2.17(3) 3.033(4) 161(6) 7_667
O5 H5A N1 0.859(17) 1.99(2) 2.816(3) 160(3) .
O5 H5B O6 0.793(16) 1.977(19) 2.755(4) 167(3) .
C17 H17 O7 0.93 2.60 3.312(5) 134.2 2_656
O7 H7A O1 0.905(19) 2.00(2) 2.905(4) 179(6) .
O7 H7B O3 0.896(19) 2.17(3) 3.033(4) 161(6) 7_667

_refine_diff_density_max         0.547
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.075

_shelxl_version_number           2014-3



