# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl
#TrackingRef 'Dr.T.Mohan Das-CRYSTAL file.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H29 N O13'
_chemical_formula_weight         539.48
_chemical_absolute_configuration unk


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   P21

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

_cell_length_a                   9.523(5)
_cell_length_b                   5.419(5)
_cell_length_c                   26.034(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 95.631(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     1337.0(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4783
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      22.0

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             568
_exptl_absorpt_coefficient_mu    0.110
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.941
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'

_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  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            13403
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4630
_reflns_number_gt                3596
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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     
'calc w=1/[σ²(Fo²)+(0.0562P)²+0.0983P] where P=(Fo²+2Fc²)/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     SHELXL
_refine_ls_extinction_coef       0.011(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.0(10)
_refine_ls_number_reflns         4630
_refine_ls_number_parameters     347
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0396
_refine_ls_wR_factor_ref         0.1053
_refine_ls_wR_factor_gt          0.0963
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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
C1 C 0.3355(2) 0.1675(5) 0.69715(8) 0.0505(6) Uani 1 1 d . . .
H1 H 0.3012 0.3335 0.6877 0.061 Uiso 1 1 calc R . .
C2 C 0.3923(2) 0.0460(4) 0.65147(8) 0.0458(5) Uani 1 1 d . . .
H2 H 0.4133 -0.1275 0.6596 0.055 Uiso 1 1 calc R . .
C3 C 0.5233(2) 0.1704(4) 0.63575(8) 0.0460(5) Uani 1 1 d . . .
H3 H 0.4984 0.3281 0.6188 0.055 Uiso 1 1 calc R . .
C4 C 0.6302(2) 0.2118(4) 0.68178(9) 0.0520(6) Uani 1 1 d . . .
H4 H 0.6739 0.0551 0.6934 0.062 Uiso 1 1 calc R . .
C5 C 0.5592(2) 0.3333(5) 0.72570(9) 0.0568(6) Uani 1 1 d . . .
H5 H 0.5234 0.4965 0.7148 0.068 Uiso 1 1 calc R . .
C6 C 0.2333(2) -0.1500(5) 0.58751(9) 0.0498(6) Uani 1 1 d . . .
C7 C 0.1225(3) -0.0974(6) 0.54451(10) 0.0705(8) Uani 1 1 d . . .
H7A H 0.1649 -0.0216 0.5165 0.106 Uiso 1 1 calc R . .
H7B H 0.0534 0.0122 0.5564 0.106 Uiso 1 1 calc R . .
H7C H 0.0777 -0.2488 0.5329 0.106 Uiso 1 1 calc R . .
C8 C 0.6314(2) 0.0930(5) 0.55764(9) 0.0542(6) Uani 1 1 d . . .
C9 C 0.6838(3) -0.1073(6) 0.52630(11) 0.0727(7) Uani 1 1 d . . .
H9A H 0.6684 -0.0645 0.4904 0.109 Uiso 1 1 calc R . .
H9B H 0.6342 -0.2571 0.5323 0.109 Uiso 1 1 calc R . .
H9C H 0.7829 -0.1307 0.5357 0.109 Uiso 1 1 calc R . .
C10 C 0.8585(3) 0.2950(5) 0.65443(12) 0.0672(7) Uani 1 1 d . . .
C11 C 0.9520(3) 0.4928(7) 0.64142(15) 0.0948(10) Uani 1 1 d . . .
H11A H 1.0326 0.4237 0.6272 0.142 Uiso 1 1 calc R . .
H11B H 0.9826 0.5850 0.6720 0.142 Uiso 1 1 calc R . .
H11C H 0.9026 0.6003 0.6165 0.142 Uiso 1 1 calc R . .
C12 C 0.6582(3) 0.3575(6) 0.77379(10) 0.0710(8) Uani 1 1 d . . .
H12A H 0.6686 0.2003 0.7916 0.085 Uiso 1 1 calc R . .
H12B H 0.7504 0.4115 0.7654 0.085 Uiso 1 1 calc R . .
C13 C 0.6503(3) 0.5538(6) 0.85451(10) 0.0653(7) Uani 1 1 d . . .
C14 C 0.5824(4) 0.7488(6) 0.88282(12) 0.0880(10) Uani 1 1 d . . .
H14A H 0.6104 0.7325 0.9191 0.132 Uiso 1 1 calc R . .
H14B H 0.4818 0.7333 0.8766 0.132 Uiso 1 1 calc R . .
H14C H 0.6108 0.9076 0.8712 0.132 Uiso 1 1 calc R . .
C15 C 0.2188(3) 0.0185(5) 0.71726(9) 0.0611(6) Uani 1 1 d . . .
H15A H 0.2546 -0.1438 0.7273 0.073 Uiso 1 1 calc R . .
H15B H 0.1432 -0.0027 0.6898 0.073 Uiso 1 1 calc R . .
C16 C 0.1602(3) 0.1398(5) 0.76325(10) 0.0624(7) Uani 1 1 d . . .
C17 C 0.1520(3) -0.0181(5) 0.80924(9) 0.0609(7) Uani 1 1 d . . .
H17A H 0.2472 -0.0615 0.8229 0.073 Uiso 1 1 calc R . .
H17B H 0.1038 -0.1699 0.7984 0.073 Uiso 1 1 calc R . .
C18 C 0.0773(2) 0.0954(5) 0.85235(9) 0.0580(6) Uani 1 1 d . . .
H18 H 0.1018 0.2705 0.8561 0.070 Uiso 1 1 calc R . .
C19 C 0.1194(2) -0.0395(5) 0.90234(9) 0.0546(6) Uani 1 1 d . . .
C20 C 0.0348(3) -0.2329(6) 0.91556(11) 0.0705(8) Uani 1 1 d . . .
H20 H -0.0463 -0.2689 0.8940 0.085 Uiso 1 1 calc R . .
C21 C 0.0649(5) -0.3729(7) 0.95884(17) 0.1059(12) Uani 1 1 d . . .
H21 H 0.0055 -0.5024 0.9658 0.127 Uiso 1 1 calc R . .
C22 C 0.1786(6) -0.3249(10) 0.99111(16) 0.1173(15) Uani 1 1 d . . .
H22 H 0.1981 -0.4210 1.0206 0.141 Uiso 1 1 calc R . .
C23 C 0.2661(4) -0.1381(10) 0.98149(13) 0.0992(12) Uani 1 1 d . . .
H23 H 0.3450 -0.1035 1.0043 0.119 Uiso 1 1 calc R . .
C24 C 0.2359(3) 0.0037(6) 0.93635(10) 0.0673(7) Uani 1 1 d . . .
N1 N 0.3362(3) 0.1942(7) 0.92739(16) 0.0986(9) Uani 1 1 d . . .
O1 O 0.44609(16) 0.1821(3) 0.73803(6) 0.0579(4) Uani 1 1 d . . .
O2 O 0.28587(15) 0.0598(3) 0.60833(6) 0.0498(4) Uani 1 1 d . . .
O3 O 0.2702(2) -0.3493(3) 0.60188(8) 0.0782(6) Uani 1 1 d . . .
O4 O 0.57936(16) 0.0035(3) 0.59959(6) 0.0506(4) Uani 1 1 d . . .
O5 O 0.6363(3) 0.3059(4) 0.54805(9) 0.0959(7) Uani 1 1 d . . .
O6 O 0.8841(2) 0.0806(4) 0.65324(12) 0.1041(8) Uani 1 1 d . . .
O7 O 0.73546(17) 0.3821(3) 0.66823(7) 0.0603(4) Uani 1 1 d . . .
O8 O 0.59743(19) 0.5378(4) 0.80573(7) 0.0761(5) Uani 1 1 d . . .
O9 O 0.7418(2) 0.4211(5) 0.87291(8) 0.0887(7) Uani 1 1 d . . .
O10 O 0.1248(3) 0.3546(4) 0.76101(8) 0.0999(7) Uani 1 1 d . . .
O11 O -0.06856(18) 0.0698(5) 0.83737(7) 0.0879(7) Uani 1 1 d . . .
H11 H -0.1121 0.1765 0.8515 0.132 Uiso 1 1 calc R . .
O12 O 0.3384(3) 0.2754(7) 0.88523(15) 0.1354(12) Uani 1 1 d . . .
O13 O 0.4146(3) 0.2681(7) 0.96397(16) 0.1751(16) Uani 1 1 d . . .


_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 1.424(3) . ?
C1 C2 1.506(3) . ?
C1 C15 1.508(3) . ?
C1 H1 0.9800 . ?
C2 O2 1.439(3) . ?
C2 C3 1.509(3) . ?
C2 H2 0.9800 . ?
C3 O4 1.445(3) . ?
C3 C4 1.511(3) . ?
C3 H3 0.9800 . ?
C4 O7 1.432(3) . ?
C4 C5 1.533(3) . ?
C4 H4 0.9800 . ?
C5 O1 1.415(3) . ?
C5 C12 1.497(3) . ?
C5 H5 0.9800 . ?
C6 O3 1.185(3) . ?
C6 O2 1.336(3) . ?
C6 C7 1.489(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O5 1.182(3) . ?
C8 O4 1.334(3) . ?
C8 C9 1.474(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O6 1.188(4) . ?
C10 O7 1.344(3) . ?
C10 C11 1.455(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O8 1.441(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 O9 1.193(3) . ?
C13 O8 1.322(3) . ?
C13 C14 1.474(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.519(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O10 1.212(3) . ?
C16 C17 1.480(4) . ?
C17 C18 1.517(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 O11 1.412(3) . ?
C18 C19 1.512(3) . ?
C18 H18 0.9800 . ?
C19 C24 1.370(3) . ?
C19 C20 1.386(4) . ?
C20 C21 1.365(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.330(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.350(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.410(5) . ?
C23 H23 0.9300 . ?
C24 N1 1.441(5) . ?
N1 O12 1.184(4) . ?
N1 O13 1.219(4) . ?
O11 H11 0.8200 . ?

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 C2 108.53(17) . . ?
O1 C1 C15 106.64(18) . . ?
C2 C1 C15 112.0(2) . . ?
O1 C1 H1 109.9 . . ?
C2 C1 H1 109.9 . . ?
C15 C1 H1 109.9 . . ?
O2 C2 C1 108.27(17) . . ?
O2 C2 C3 107.62(16) . . ?
C1 C2 C3 112.92(19) . . ?
O2 C2 H2 109.3 . . ?
C1 C2 H2 109.3 . . ?
C3 C2 H2 109.3 . . ?
O4 C3 C2 105.39(18) . . ?
O4 C3 C4 110.25(17) . . ?
C2 C3 C4 111.21(17) . . ?
O4 C3 H3 110.0 . . ?
C2 C3 H3 110.0 . . ?
C4 C3 H3 110.0 . . ?
O7 C4 C3 109.50(18) . . ?
O7 C4 C5 106.11(19) . . ?
C3 C4 C5 110.05(17) . . ?
O7 C4 H4 110.4 . . ?
C3 C4 H4 110.4 . . ?
C5 C4 H4 110.4 . . ?
O1 C5 C12 107.0(2) . . ?
O1 C5 C4 108.77(19) . . ?
C12 C5 C4 111.94(19) . . ?
O1 C5 H5 109.7 . . ?
C12 C5 H5 109.7 . . ?
C4 C5 H5 109.7 . . ?
O3 C6 O2 124.0(2) . . ?
O3 C6 C7 125.4(2) . . ?
O2 C6 C7 110.6(2) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O5 C8 O4 123.6(2) . . ?
O5 C8 C9 125.4(2) . . ?
O4 C8 C9 111.0(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O6 C10 O7 122.5(3) . . ?
O6 C10 C11 125.6(3) . . ?
O7 C10 C11 111.9(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O8 C12 C5 106.7(2) . . ?
O8 C12 H12A 110.4 . . ?
C5 C12 H12A 110.4 . . ?
O8 C12 H12B 110.4 . . ?
C5 C12 H12B 110.4 . . ?
H12A C12 H12B 108.6 . . ?
O9 C13 O8 122.7(3) . . ?
O9 C13 C14 124.8(3) . . ?
O8 C13 C14 112.5(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C1 C15 C16 112.5(2) . . ?
C1 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
C1 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
O10 C16 C17 123.9(2) . . ?
O10 C16 C15 120.0(3) . . ?
C17 C16 C15 116.1(2) . . ?
C16 C17 C18 115.5(2) . . ?
C16 C17 H17A 108.4 . . ?
C18 C17 H17A 108.4 . . ?
C16 C17 H17B 108.4 . . ?
C18 C17 H17B 108.4 . . ?
H17A C17 H17B 107.5 . . ?
O11 C18 C19 111.2(2) . . ?
O11 C18 C17 106.0(2) . . ?
C19 C18 C17 109.7(2) . . ?
O11 C18 H18 110.0 . . ?
C19 C18 H18 110.0 . . ?
C17 C18 H18 110.0 . . ?
C24 C19 C20 115.0(3) . . ?
C24 C19 C18 127.1(3) . . ?
C20 C19 C18 117.9(2) . . ?
C21 C20 C19 123.0(3) . . ?
C21 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 120.6(4) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C24 119.0(3) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C19 C24 C23 122.1(3) . . ?
C19 C24 N1 121.7(3) . . ?
C23 C24 N1 116.2(3) . . ?
O12 N1 O13 122.5(4) . . ?
O12 N1 C24 119.2(3) . . ?
O13 N1 C24 118.3(4) . . ?
C5 O1 C1 112.73(17) . . ?
C6 O2 C2 118.66(18) . . ?
C8 O4 C3 119.78(18) . . ?
C10 O7 C4 119.3(2) . . ?
C13 O8 C12 117.5(2) . . ?
C18 O11 H11 109.5 . . ?

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
O1 C1 C2 O2 -172.82(17) . . . . ?
C15 C1 C2 O2 69.7(2) . . . . ?
O1 C1 C2 C3 -53.8(3) . . . . ?
C15 C1 C2 C3 -171.21(19) . . . . ?
O2 C2 C3 O4 -72.3(2) . . . . ?
C1 C2 C3 O4 168.26(17) . . . . ?
O2 C2 C3 C4 168.22(18) . . . . ?
C1 C2 C3 C4 48.8(2) . . . . ?
O4 C3 C4 O7 77.9(2) . . . . ?
C2 C3 C4 O7 -165.55(18) . . . . ?
O4 C3 C4 C5 -165.80(18) . . . . ?
C2 C3 C4 C5 -49.3(3) . . . . ?
O7 C4 C5 O1 175.32(17) . . . . ?
C3 C4 C5 O1 56.9(2) . . . . ?
O7 C4 C5 C12 -66.7(3) . . . . ?
C3 C4 C5 C12 174.9(2) . . . . ?
O1 C5 C12 O8 -78.7(3) . . . . ?
C4 C5 C12 O8 162.3(2) . . . . ?
O1 C1 C15 C16 61.7(3) . . . . ?
C2 C1 C15 C16 -179.8(2) . . . . ?
C1 C15 C16 O10 50.3(4) . . . . ?
C1 C15 C16 C17 -128.9(2) . . . . ?
O10 C16 C17 C18 7.9(4) . . . . ?
C15 C16 C17 C18 -173.0(2) . . . . ?
C16 C17 C18 O11 79.6(3) . . . . ?
C16 C17 C18 C19 -160.3(2) . . . . ?
O11 C18 C19 C24 -158.0(2) . . . . ?
C17 C18 C19 C24 85.1(3) . . . . ?
O11 C18 C19 C20 23.7(3) . . . . ?
C17 C18 C19 C20 -93.2(3) . . . . ?
C24 C19 C20 C21 -0.7(4) . . . . ?
C18 C19 C20 C21 177.8(3) . . . . ?
C19 C20 C21 C22 1.0(5) . . . . ?
C20 C21 C22 C23 -0.2(6) . . . . ?
C21 C22 C23 C24 -0.8(6) . . . . ?
C20 C19 C24 C23 -0.4(4) . . . . ?
C18 C19 C24 C23 -178.7(3) . . . . ?
C20 C19 C24 N1 178.4(2) . . . . ?
C18 C19 C24 N1 0.1(4) . . . . ?
C22 C23 C24 C19 1.1(5) . . . . ?
C22 C23 C24 N1 -177.8(3) . . . . ?
C19 C24 N1 O12 -18.3(5) . . . . ?
C23 C24 N1 O12 160.6(4) . . . . ?
C19 C24 N1 O13 160.8(3) . . . . ?
C23 C24 N1 O13 -20.4(4) . . . . ?
C12 C5 O1 C1 173.08(19) . . . . ?
C4 C5 O1 C1 -65.8(2) . . . . ?
C2 C1 O1 C5 63.6(3) . . . . ?
C15 C1 O1 C5 -175.63(19) . . . . ?
O3 C6 O2 C2 -1.1(3) . . . . ?
C7 C6 O2 C2 178.50(17) . . . . ?
C1 C2 O2 C6 -118.1(2) . . . . ?
C3 C2 O2 C6 119.5(2) . . . . ?
O5 C8 O4 C3 0.9(4) . . . . ?
C9 C8 O4 C3 179.6(2) . . . . ?
C2 C3 O4 C8 139.45(19) . . . . ?
C4 C3 O4 C8 -100.4(2) . . . . ?
O6 C10 O7 C4 -0.4(4) . . . . ?
C11 C10 O7 C4 179.4(2) . . . . ?
C3 C4 O7 C10 -97.7(2) . . . . ?
C5 C4 O7 C10 143.6(2) . . . . ?
O9 C13 O8 C12 -2.4(4) . . . . ?
C14 C13 O8 C12 178.4(3) . . . . ?
C5 C12 O8 C13 166.4(2) . . . . ?

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
O11 H11 O9 0.82 2.04 2.841(3) 166.0 1_455

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.171
_refine_diff_density_min         -0.123
_refine_diff_density_rms         0.028


_database_code_depnum_ccdc_archive 'CCDC 864128'
