# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  from this site to visualise CIF-encoded structures and 
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data_1
#TrackingRef '1.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H26 N2 O6'
_chemical_formula_weight         474.50

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c '

loop_
_symmetry_equiv_pos_as_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                   21.750(6)
_cell_length_b                   9.476(3)
_cell_length_c                   24.315(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.661(4)
_cell_angle_gamma                90.00
_cell_volume                     4908(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1182
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      21.09

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2000
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9749
_exptl_absorpt_correction_T_max  0.9811
_exptl_absorpt_process_details   'Higashi, T. (1995)'

_exptl_special_details           
;
Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan.
;

_diffrn_ambient_temperature      298(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8531
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0798
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.71
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4218
_reflns_number_gt                2348
_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^)+(0.0573P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4218
_refine_ls_number_parameters     320
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0574
_refine_ls_wR_factor_ref         0.1573
_refine_ls_wR_factor_gt          0.1305
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_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
N2 N 0.09253(10) 0.7995(2) 0.12005(9) 0.0438(6) Uani 1 1 d . . .
O4 O 0.22253(10) 0.4646(2) 0.12778(9) 0.0625(6) Uani 1 1 d . . .
C6 C 0.07909(12) 0.8425(3) 0.01728(11) 0.0414(7) Uani 1 1 d . . .
O6 O 0.22885(10) 0.7873(2) 0.16992(9) 0.0709(6) Uani 1 1 d . . .
O1 O 0.23226(9) 0.9431(2) -0.01611(8) 0.0639(6) Uani 1 1 d . . .
N1 N 0.01645(10) 0.6652(2) 0.05512(9) 0.0455(6) Uani 1 1 d . . .
C7 C 0.14249(13) 0.8766(3) 0.02534(11) 0.0448(7) Uani 1 1 d . . .
H7 H 0.1667 0.8774 0.0615 0.054 Uiso 1 1 calc R . .
O2 O 0.15836(10) 0.9377(3) -0.11983(9) 0.0807(7) Uani 1 1 d . . .
H2 H 0.1960 0.9540 -0.1101 0.121 Uiso 1 1 calc R . .
C15 C 0.09039(12) 0.9062(3) 0.16087(11) 0.0447(7) Uani 1 1 d . . .
C21 C 0.13127(12) 0.6830(3) 0.12966(11) 0.0438(7) Uani 1 1 d . . .
O3 O 0.14994(9) 0.3536(2) 0.06419(9) 0.0692(6) Uani 1 1 d . . .
C8 C 0.04764(12) 0.8025(3) 0.06567(11) 0.0433(7) Uani 1 1 d . . .
H8 H 0.0156 0.8736 0.0680 0.052 Uiso 1 1 calc R . .
C2 C 0.16986(13) 0.9092(3) -0.01927(12) 0.0462(7) Uani 1 1 d . . .
O5 O 0.19004(9) 0.6193(2) 0.21854(8) 0.0678(6) Uani 1 1 d . . .
C25 C 0.16993(15) 0.4619(3) 0.09900(12) 0.0484(7) Uani 1 1 d . . .
C27 C 0.06345(12) 0.5584(3) 0.04967(12) 0.0489(7) Uani 1 1 d . . .
H27A H 0.0753 0.5692 0.0135 0.059 Uiso 1 1 calc R . .
H27B H 0.0451 0.4654 0.0507 0.059 Uiso 1 1 calc R . .
C3 C 0.13405(14) 0.9090(3) -0.07396(12) 0.0534(8) Uani 1 1 d . . .
C24 C 0.12159(12) 0.5686(3) 0.09553(11) 0.0460(7) Uani 1 1 d . . .
C22 C 0.18919(14) 0.7024(3) 0.17499(12) 0.0528(8) Uani 1 1 d . . .
C5 C 0.04340(13) 0.8440(3) -0.03667(12) 0.0535(8) Uani 1 1 d . . .
H5 H 0.0009 0.8224 -0.0427 0.064 Uiso 1 1 calc R . .
C9 C -0.02458(13) 0.6334(3) 0.09268(12) 0.0540(8) Uani 1 1 d . . .
C4 C 0.07033(14) 0.8772(3) -0.08152(12) 0.0583(8) Uani 1 1 d . . .
H4 H 0.0456 0.8784 -0.1175 0.070 Uiso 1 1 calc R . .
C16 C 0.09262(13) 1.0465(3) 0.14594(13) 0.0573(8) Uani 1 1 d . . .
H16 H 0.0963 1.0707 0.1097 0.069 Uiso 1 1 calc R . .
C20 C 0.08464(14) 0.8716(4) 0.21478(12) 0.0634(9) Uani 1 1 d . . .
H20 H 0.0822 0.7774 0.2249 0.076 Uiso 1 1 calc R . .
C10 C -0.07526(15) 0.7219(4) 0.09403(17) 0.0768(10) Uani 1 1 d . . .
H10 H -0.0819 0.8007 0.0708 0.092 Uiso 1 1 calc R . .
C17 C 0.08939(15) 1.1509(4) 0.18503(17) 0.0753(11) Uani 1 1 d . . .
H17 H 0.0905 1.2453 0.1748 0.090 Uiso 1 1 calc R . .
C18 C 0.08464(17) 1.1163(5) 0.23849(18) 0.0869(12) Uani 1 1 d . . .
H18 H 0.0829 1.1869 0.2647 0.104 Uiso 1 1 calc R . .
C19 C 0.08250(16) 0.9762(5) 0.25353(15) 0.0825(11) Uani 1 1 d . . .
H19 H 0.0796 0.9525 0.2900 0.099 Uiso 1 1 calc R . .
C26 C 0.19620(16) 0.2468(3) 0.06050(17) 0.0867(12) Uani 1 1 d . . .
H26A H 0.2318 0.2896 0.0494 0.130 Uiso 1 1 calc R . .
H26B H 0.1783 0.1773 0.0332 0.130 Uiso 1 1 calc R . .
H26C H 0.2093 0.2024 0.0964 0.130 Uiso 1 1 calc R . .
C11 C -0.11612(18) 0.6936(5) 0.1298(2) 0.0993(14) Uani 1 1 d . . .
H11 H -0.1489 0.7556 0.1313 0.119 Uiso 1 1 calc R . .
C14 C -0.01764(19) 0.5161(4) 0.12688(18) 0.0938(13) Uani 1 1 d . . .
H14 H 0.0159 0.4550 0.1272 0.113 Uiso 1 1 calc R . .
C12 C -0.1087(2) 0.5766(6) 0.1626(2) 0.1180(16) Uani 1 1 d . . .
H12 H -0.1364 0.5568 0.1860 0.142 Uiso 1 1 calc R . .
C23 C 0.24870(17) 0.6231(5) 0.26051(16) 0.1139(16) Uani 1 1 d . . .
H23A H 0.2831 0.5991 0.2430 0.171 Uiso 1 1 calc R . .
H23B H 0.2465 0.5566 0.2898 0.171 Uiso 1 1 calc R . .
H23C H 0.2550 0.7163 0.2762 0.171 Uiso 1 1 calc R . .
C13 C -0.0599(3) 0.4892(6) 0.1604(2) 0.1313(18) Uani 1 1 d . . .
H13 H -0.0550 0.4082 0.1824 0.158 Uiso 1 1 calc R . .
C1 C 0.27407(13) 0.9289(3) 0.03702(12) 0.0617(9) Uani 1 1 d . . .
H1A H 0.2630 0.9962 0.0629 0.093 Uiso 1 1 calc R . .
H1B H 0.3163 0.9460 0.0327 0.093 Uiso 1 1 calc R . .
H1C H 0.2710 0.8352 0.0512 0.093 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
N2 0.0466(13) 0.0399(13) 0.0405(13) -0.0080(10) -0.0018(11) 0.0071(11)
O4 0.0547(14) 0.0619(14) 0.0699(15) 0.0006(11) 0.0099(11) 0.0146(11)
C6 0.0459(17) 0.0367(15) 0.0386(16) -0.0027(12) 0.0016(13) 0.0053(12)
O6 0.0565(14) 0.0736(15) 0.0766(16) -0.0037(12) -0.0008(12) -0.0094(12)
O1 0.0523(13) 0.0783(15) 0.0582(14) 0.0060(11) 0.0043(10) -0.0046(11)
N1 0.0424(13) 0.0428(13) 0.0491(14) -0.0067(11) 0.0035(11) -0.0009(11)
C7 0.0502(18) 0.0404(16) 0.0397(16) -0.0020(13) -0.0008(13) 0.0058(13)
O2 0.0668(15) 0.1204(19) 0.0518(14) 0.0185(14) 0.0049(12) -0.0064(15)
C15 0.0396(16) 0.0472(17) 0.0444(17) -0.0116(14) 0.0018(13) 0.0024(13)
C21 0.0431(16) 0.0469(17) 0.0401(16) 0.0005(13) 0.0057(13) 0.0053(13)
O3 0.0704(14) 0.0461(12) 0.0895(16) -0.0152(11) 0.0122(12) 0.0113(10)
C8 0.0406(16) 0.0389(15) 0.0454(17) -0.0068(12) -0.0033(13) 0.0037(12)
C2 0.0447(17) 0.0396(16) 0.0514(19) 0.0010(13) 0.0026(14) 0.0029(13)
O5 0.0561(13) 0.0943(16) 0.0482(13) 0.0111(12) -0.0011(10) 0.0134(12)
C25 0.058(2) 0.0398(16) 0.0493(18) 0.0017(14) 0.0147(16) 0.0046(15)
C27 0.0519(17) 0.0410(16) 0.0517(18) -0.0087(13) 0.0059(14) 0.0025(13)
C3 0.058(2) 0.0565(19) 0.0432(18) 0.0047(14) 0.0057(15) 0.0021(15)
C24 0.0476(17) 0.0416(16) 0.0475(17) -0.0038(13) 0.0062(13) 0.0054(13)
C22 0.0499(19) 0.059(2) 0.0479(19) -0.0049(15) 0.0047(15) 0.0124(16)
C5 0.0488(18) 0.0589(19) 0.0475(19) 0.0058(15) -0.0028(15) 0.0000(14)
C9 0.0502(19) 0.0542(19) 0.0557(19) -0.0120(16) 0.0067(15) -0.0085(15)
C4 0.056(2) 0.068(2) 0.0426(18) 0.0078(15) -0.0104(15) 0.0013(16)
C16 0.0577(19) 0.0494(19) 0.060(2) -0.0101(15) 0.0000(15) 0.0050(15)
C20 0.068(2) 0.071(2) 0.052(2) -0.0104(17) 0.0131(16) 0.0045(17)
C10 0.056(2) 0.069(2) 0.108(3) -0.011(2) 0.024(2) -0.0010(18)
C17 0.066(2) 0.057(2) 0.094(3) -0.029(2) -0.005(2) 0.0071(17)
C18 0.080(3) 0.091(3) 0.083(3) -0.049(2) 0.002(2) 0.012(2)
C19 0.085(3) 0.109(3) 0.052(2) -0.028(2) 0.0117(19) 0.013(2)
C26 0.091(3) 0.051(2) 0.123(3) -0.013(2) 0.031(2) 0.0267(18)
C11 0.070(3) 0.098(3) 0.140(4) -0.034(3) 0.046(3) -0.008(2)
C14 0.102(3) 0.083(3) 0.111(3) 0.027(2) 0.055(3) 0.009(2)
C12 0.121(4) 0.131(5) 0.121(4) -0.023(3) 0.070(3) -0.030(4)
C23 0.079(3) 0.172(4) 0.075(3) 0.019(3) -0.023(2) 0.018(3)
C13 0.151(5) 0.122(4) 0.146(5) 0.034(3) 0.088(4) 0.006(3)
C1 0.0472(18) 0.066(2) 0.066(2) -0.0065(17) -0.0037(16) 0.0077(15)

_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
N2 C21 1.380(3) . ?
N2 C15 1.424(3) . ?
N2 C8 1.477(3) . ?
O4 C25 1.215(3) . ?
C6 C5 1.383(3) . ?
C6 C7 1.391(3) . ?
C6 C8 1.523(4) . ?
O6 C22 1.204(3) . ?
O1 C2 1.382(3) . ?
O1 C1 1.428(3) . ?
N1 C9 1.432(4) . ?
N1 C27 1.464(3) . ?
N1 C8 1.466(3) . ?
C7 C2 1.374(4) . ?
C7 H7 0.9300 . ?
O2 C3 1.355(3) . ?
O2 H2 0.8200 . ?
C15 C20 1.381(4) . ?
C15 C16 1.382(4) . ?
C21 C24 1.356(3) . ?
C21 C22 1.508(4) . ?
O3 C25 1.345(3) . ?
O3 C26 1.442(3) . ?
C8 H8 0.9800 . ?
C2 C3 1.399(4) . ?
O5 C22 1.317(3) . ?
O5 C23 1.464(3) . ?
C25 C24 1.449(4) . ?
C27 C24 1.511(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C3 C4 1.394(4) . ?
C5 C4 1.375(4) . ?
C5 H5 0.9300 . ?
C9 C14 1.378(4) . ?
C9 C10 1.391(4) . ?
C4 H4 0.9300 . ?
C16 C17 1.384(4) . ?
C16 H16 0.9300 . ?
C20 C19 1.375(4) . ?
C20 H20 0.9300 . ?
C10 C11 1.389(5) . ?
C10 H10 0.9300 . ?
C17 C18 1.365(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.380(5) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C11 C12 1.356(6) . ?
C11 H11 0.9300 . ?
C14 C13 1.369(6) . ?
C14 H14 0.9300 . ?
C12 C13 1.355(6) . ?
C12 H12 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C13 H13 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C21 N2 C15 123.7(2) . . ?
C21 N2 C8 116.0(2) . . ?
C15 N2 C8 120.1(2) . . ?
C5 C6 C7 118.8(3) . . ?
C5 C6 C8 118.8(2) . . ?
C7 C6 C8 122.4(2) . . ?
C2 O1 C1 117.9(2) . . ?
C9 N1 C27 116.6(2) . . ?
C9 N1 C8 113.7(2) . . ?
C27 N1 C8 108.8(2) . . ?
C2 C7 C6 121.1(2) . . ?
C2 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C3 O2 H2 109.5 . . ?
C20 C15 C16 119.5(3) . . ?
C20 C15 N2 121.0(3) . . ?
C16 C15 N2 119.5(3) . . ?
C24 C21 N2 121.5(2) . . ?
C24 C21 C22 123.3(2) . . ?
N2 C21 C22 114.7(2) . . ?
C25 O3 C26 115.7(2) . . ?
N1 C8 N2 109.8(2) . . ?
N1 C8 C6 110.5(2) . . ?
N2 C8 C6 112.2(2) . . ?
N1 C8 H8 108.1 . . ?
N2 C8 H8 108.1 . . ?
C6 C8 H8 108.1 . . ?
C7 C2 O1 125.9(2) . . ?
C7 C2 C3 120.2(3) . . ?
O1 C2 C3 113.9(3) . . ?
C22 O5 C23 114.5(3) . . ?
O4 C25 O3 121.7(3) . . ?
O4 C25 C24 127.4(3) . . ?
O3 C25 C24 110.9(3) . . ?
N1 C27 C24 112.6(2) . . ?
N1 C27 H27A 109.1 . . ?
C24 C27 H27A 109.1 . . ?
N1 C27 H27B 109.1 . . ?
C24 C27 H27B 109.1 . . ?
H27A C27 H27B 107.8 . . ?
O2 C3 C4 118.6(3) . . ?
O2 C3 C2 123.2(3) . . ?
C4 C3 C2 118.3(3) . . ?
C21 C24 C25 120.1(2) . . ?
C21 C24 C27 120.4(2) . . ?
C25 C24 C27 119.2(2) . . ?
O6 C22 O5 126.0(3) . . ?
O6 C22 C21 121.1(3) . . ?
O5 C22 C21 112.9(3) . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C14 C9 C10 117.6(3) . . ?
C14 C9 N1 123.3(3) . . ?
C10 C9 N1 119.1(3) . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C15 C16 C17 119.9(3) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C19 C20 C15 120.1(3) . . ?
C19 C20 H20 120.0 . . ?
C15 C20 H20 120.0 . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C18 C17 C16 120.4(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.8(3) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 120.3(4) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
O3 C26 H26A 109.5 . . ?
O3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C13 C14 C9 120.3(4) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
C13 C12 C11 118.6(4) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C12 C13 C14 122.3(5) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         0.212
_refine_diff_density_min         -0.218
_refine_diff_density_rms         0.047


_database_code_depnum_ccdc_archive 'CCDC 911650'