# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_xylat
_database_code_depnum_ccdc_archive 'CCDC 1554669'
_audit_update_record             
;
2017-06-07 deposited with the CCDC.
2017-08-22 downloaded from the CCDC.
;
_audit_creation_date             2015-08-21
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.27 svn.r2268, GUI svn.r4156)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C56 H82 N8 O12, 2(H2 O)'
_chemical_formula_sum            'C56 H86 N8 O14'
_chemical_formula_weight         1095.33
_chemical_absolute_configuration unk
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O'
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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           96
_space_group_name_H-M_alt        'P 43 21 2'
_space_group_name_Hall           'P 4nw 2abw'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y+1/2, x+1/2, z+3/4'
3 '-x, -y, z+1/2'
4 'y+1/2, -x+1/2, z+1/4'
5 'x+1/2, -y+1/2, -z+1/4'
6 '-x+1/2, y+1/2, -z+3/4'
7 'y, x, -z'
8 '-y, -x, -z+1/2'

_cell_length_a                   9.9937(2)
_cell_length_b                   9.9937(2)
_cell_length_c                   64.144(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6406.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3786
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.2420
_cell_measurement_theta_min      2.0570
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_density_meas      1.136
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flake
_exptl_crystal_F_000             2360.0
_exptl_crystal_F_000'            2361.13
_exptl_crystal_size_max          0.385
_exptl_crystal_size_mid          0.328
_exptl_crystal_size_min          0.192
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -76
_diffrn_reflns_number            13511
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.06
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 7.9580
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 25.03
_diffrn_measured_fraction_theta_max 25.03
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   23.00   48.00   0.5000   16.7650
omega____ theta____ kappa____ phi______ frames
    -        0.7031  -57.0000 -180.0000 50

#__ type_ start__ end____ width___ exp.time_
  2 omega  -79.00  -53.00   0.5000   16.7650
omega____ theta____ kappa____ phi______ frames
    -        0.7031  -57.0000 -180.0000 52

#__ type_ start__ end____ width___ exp.time_
  3 omega  -33.00   -3.00   0.5000   16.7650
omega____ theta____ kappa____ phi______ frames
    -        0.7031  -57.0000 -180.0000 60

#__ type_ start__ end____ width___ exp.time_
  4 omega  -20.00   26.00   0.5000   67.0500
omega____ theta____ kappa____ phi______ frames
    -      -29.4154  -99.0000  120.0000 92

#__ type_ start__ end____ width___ exp.time_
  5 omega   10.00  113.00   0.5000   67.0500
omega____ theta____ kappa____ phi______ frames
    -       30.8217   77.0000   60.0000 206
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0573521000
_diffrn_orient_matrix_UB_12      -0.0393989000
_diffrn_orient_matrix_UB_13      0.0021722000
_diffrn_orient_matrix_UB_21      -0.0296027000
_diffrn_orient_matrix_UB_22      -0.0215207000
_diffrn_orient_matrix_UB_23      0.0094767000
_diffrn_orient_matrix_UB_31      -0.0295158000
_diffrn_orient_matrix_UB_32      -0.0549599000
_diffrn_orient_matrix_UB_33      -0.0052726000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4274
_reflns_number_total             5662
_reflns_odcompleteness_completeness 86.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         0.191
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.039
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.004(2)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         5659
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0660
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0609P)²+3.0937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1601
_refine_ls_wR_factor_ref         0.1727
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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
O3 O -1.0609(3) -0.1976(3) -0.60032(4) 0.0529(7) Uani 1 1 d . . .
O4 O -0.8679(3) -0.1386(3) -0.55623(4) 0.0537(7) Uani 1 1 d . . .
N2 N -1.0147(3) -0.3609(3) -0.57762(4) 0.0388(7) Uani 1 1 d . . .
H2 H -0.9546 -0.4059 -0.5711 0.047 Uiso 1 1 calc R . .
O2 O -1.0922(4) -0.9640(3) -0.62070(4) 0.0687(9) Uani 1 1 d . . .
H2A H -1.0723 -1.0323 -0.6143 0.103 Uiso 1 1 calc R . .
O6 O -0.5923(3) -0.6076(3) -0.54969(5) 0.0657(8) Uani 1 1 d . . .
N3 N -0.7511(3) -0.2797(3) -0.57661(4) 0.0443(7) Uani 1 1 d . . .
H3 H -0.6852 -0.3348 -0.5773 0.053 Uiso 1 1 calc R . .
N1 N -1.1497(3) -0.1972(3) -0.54994(5) 0.0479(8) Uani 1 1 d . . .
H1 H -1.0644 -0.1993 -0.5516 0.057 Uiso 1 1 calc R . .
N4 N -0.6269(3) -0.3944(3) -0.54306(5) 0.0477(8) Uani 1 1 d . . .
H4 H -0.5411 -0.3876 -0.5429 0.057 Uiso 1 1 calc R . .
O1 O -1.3449(3) -0.2991(3) -0.55663(5) 0.0749(9) Uani 1 1 d . . .
O5 O -0.8056(3) -0.5266(3) -0.54888(5) 0.0712(9) Uani 1 1 d . . .
C15 C -0.9772(4) -0.2654(3) -0.59117(5) 0.0377(8) Uani 1 1 d . . .
C9 C -1.1420(4) -0.6419(4) -0.58033(5) 0.0441(9) Uani 1 1 d . . .
C19 C -0.7802(4) -0.2235(4) -0.55821(6) 0.0435(9) Uani 1 1 d . . .
C7 C -1.1546(4) -0.3893(4) -0.57387(5) 0.0426(9) Uani 1 1 d . . .
H7 H -1.2011 -0.3859 -0.5873 0.051 Uiso 1 1 calc R . .
C12 C -1.1076(4) -0.8602(4) -0.60687(6) 0.0510(10) Uani 1 1 d . . .
C16 C -0.8266(4) -0.2514(4) -0.59544(5) 0.0467(9) Uani 1 1 d . . .
O7 O -0.4146(5) -0.5059(3) -0.41154(5) 0.0975(13) Uani 1 1 d G . .
H7A H -0.3674 -0.4559 -0.4193 0.146 Uiso 1 1 d G . .
H7B H -0.4360 -0.4634 -0.4006 0.146 Uiso 1 1 d G . .
C3 C -1.1239(4) -0.0681(4) -0.51781(5) 0.0461(9) Uani 1 1 d . . .
C20 C -0.7092(4) -0.2791(4) -0.53893(6) 0.0465(9) Uani 1 1 d . . .
H20 H -0.7794 -0.3084 -0.5293 0.056 Uiso 1 1 calc R . .
C6 C -1.2230(4) -0.2899(4) -0.55925(5) 0.0480(9) Uani 1 1 d . . .
C4 C -1.1441(4) -0.1441(4) -0.5000 0.0472(13) Uani 1 2 d S . .
H4A H -1.2099 -0.2099 -0.5000 0.057 Uiso 1 2 calc SR . .
C13 C -1.0791(5) -0.8708(4) -0.58645(6) 0.0692(13) Uani 1 1 d . . .
H13 H -1.0482 -0.9515 -0.5810 0.083 Uiso 1 1 calc R . .
C24 C -0.6845(5) -0.5123(4) -0.54719(6) 0.0531(10) Uani 1 1 d . . .
C21 C -0.6323(4) -0.1678(4) -0.52789(6) 0.0524(10) Uani 1 1 d . . .
H21A H -0.6930 -0.0936 -0.5255 0.063 Uiso 1 1 calc R . .
H21B H -0.5623 -0.1363 -0.5372 0.063 Uiso 1 1 calc R . .
C5 C -1.2065(4) -0.0921(4) -0.53703(6) 0.0591(11) Uani 1 1 d . . .
H5A H -1.2966 -0.1169 -0.5330 0.071 Uiso 1 1 calc R . .
H5B H -1.2117 -0.0100 -0.5451 0.071 Uiso 1 1 calc R . .
C2 C -1.0254(5) 0.0279(4) -0.51749(6) 0.0606(12) Uani 1 1 d . . .
H2B H -1.0098 0.0787 -0.5294 0.073 Uiso 1 1 calc R . .
C17 C -0.7928(5) -0.3577(5) -0.61180(6) 0.0670(13) Uani 1 1 d . . .
H17A H -0.8092 -0.4450 -0.6061 0.100 Uiso 1 1 calc R . .
H17B H -0.7003 -0.3501 -0.6156 0.100 Uiso 1 1 calc R . .
H17C H -0.8478 -0.3446 -0.6239 0.100 Uiso 1 1 calc R . .
C8 C -1.1702(4) -0.5308(4) -0.56515(6) 0.0510(10) Uani 1 1 d . . .
H8A H -1.1105 -0.5406 -0.5533 0.061 Uiso 1 1 calc R . .
H8B H -1.2610 -0.5410 -0.5600 0.061 Uiso 1 1 calc R . .
C10 C -1.1665(6) -0.6330(5) -0.60124(7) 0.0908(19) Uani 1 1 d . . .
H10 H -1.1944 -0.5517 -0.6068 0.109 Uiso 1 1 calc R . .
C14 C -1.0961(5) -0.7604(4) -0.57343(6) 0.0712(14) Uani 1 1 d . . .
H14 H -1.0747 -0.7691 -0.5594 0.085 Uiso 1 1 calc R . .
C11 C -1.1511(7) -0.7412(5) -0.61427(7) 0.098(2) Uani 1 1 d . . .
H11 H -1.1709 -0.7324 -0.6284 0.117 Uiso 1 1 calc R . .
C1 C -0.9495(4) 0.0505(4) -0.5000 0.0698(19) Uani 1 2 d S . .
H1A H -0.8837 0.1163 -0.5000 0.084 Uiso 1 2 calc SR . .
C49 C -0.5681(5) -0.2059(5) -0.50702(6) 0.0749(14) Uani 1 1 d . . .
H49 H -0.4912 -0.2631 -0.5103 0.090 Uiso 1 1 calc R . .
C18 C -0.7940(5) -0.1125(5) -0.60380(8) 0.0730(14) Uani 1 1 d . . .
H18A H -0.6996 -0.1059 -0.6063 0.110 Uiso 1 1 calc R . .
H18B H -0.8201 -0.0463 -0.5937 0.110 Uiso 1 1 calc R . .
H18C H -0.8418 -0.0979 -0.6166 0.110 Uiso 1 1 calc R . .
C25 C -0.6302(6) -0.7417(4) -0.55745(9) 0.0817(15) Uani 1 1 d . . .
C23 C -0.5125(6) -0.0797(6) -0.49673(8) 0.101(2) Uani 1 1 d . . .
H23A H -0.5852 -0.0235 -0.4924 0.151 Uiso 1 1 calc R . .
H23B H -0.4577 -0.0321 -0.5065 0.151 Uiso 1 1 calc R . .
H23C H -0.4595 -0.1041 -0.4848 0.151 Uiso 1 1 calc R . .
C28 C -0.6932(8) -0.7277(6) -0.57890(10) 0.120(2) Uani 1 1 d . . .
H28A H -0.6347 -0.6772 -0.5878 0.179 Uiso 1 1 calc R . .
H28B H -0.7774 -0.6821 -0.5777 0.179 Uiso 1 1 calc R . .
H28C H -0.7074 -0.8149 -0.5848 0.179 Uiso 1 1 calc R . .
C27 C -0.7215(7) -0.8078(6) -0.54230(12) 0.128(3) Uani 1 1 d . . .
H27A H -0.8042 -0.7591 -0.5416 0.192 Uiso 1 1 calc R . .
H27B H -0.6804 -0.8091 -0.5288 0.192 Uiso 1 1 calc R . .
H27C H -0.7389 -0.8979 -0.5468 0.192 Uiso 1 1 calc R . .
C22 C -0.6553(7) -0.2833(7) -0.49276(8) 0.120(2) Uani 1 1 d . . .
H22A H -0.6836 -0.3642 -0.4995 0.180 Uiso 1 1 calc R . .
H22B H -0.7323 -0.2307 -0.4892 0.180 Uiso 1 1 calc R . .
H22C H -0.6065 -0.3052 -0.4803 0.180 Uiso 1 1 calc R . .
C26 C -0.4945(7) -0.8096(6) -0.55801(12) 0.125(3) Uani 1 1 d . . .
H26A H -0.4590 -0.8150 -0.5441 0.188 Uiso 1 1 calc R . .
H26B H -0.4346 -0.7587 -0.5666 0.188 Uiso 1 1 calc R . .
H26C H -0.5039 -0.8981 -0.5636 0.188 Uiso 1 1 calc R . .


_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
O3 C15 1.226(4) . ?
O4 C19 1.227(4) . ?
N2 C15 1.345(4) . ?
N2 C7 1.446(5) . ?
O2 C12 1.374(4) . ?
O6 C24 1.335(5) . ?
O6 C25 1.479(5) . ?
N3 C19 1.339(4) . ?
N3 C16 1.452(5) . ?
N1 C6 1.323(5) . ?
N1 C5 1.453(5) . ?
N4 C20 1.441(5) . ?
N4 C24 1.338(5) . ?
O1 C6 1.232(5) . ?
O5 C24 1.224(5) . ?
C15 C16 1.536(5) . ?
C9 C8 1.503(5) . ?
C9 C10 1.367(5) . ?
C9 C14 1.346(5) . ?
C19 C20 1.530(5) . ?
C7 C6 1.528(5) . ?
C7 C8 1.529(5) . ?
C12 C13 1.345(5) . ?
C12 C11 1.352(6) . ?
C16 C17 1.531(5) . ?
C16 C18 1.523(5) . ?
C3 C4 1.386(4) . ?
C3 C5 1.503(5) . ?
C3 C2 1.375(6) . ?
C20 C21 1.526(5) . ?
C4 C3 1.386(4) 7_464 ?
C13 C14 1.394(6) . ?
C21 C49 1.532(6) . ?
C2 C1 1.372(5) . ?
C10 C11 1.375(6) . ?
C1 C2 1.372(5) 7_464 ?
C49 C23 1.529(7) . ?
C49 C22 1.481(7) . ?
C25 C28 1.520(8) . ?
C25 C27 1.487(8) . ?
C25 C26 1.517(8) . ?

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
C15 N2 C7 121.1(3) . . ?
C24 O6 C25 120.6(4) . . ?
C19 N3 C16 122.6(3) . . ?
C6 N1 C5 123.2(3) . . ?
C24 N4 C20 119.7(3) . . ?
O3 C15 N2 120.7(3) . . ?
O3 C15 C16 122.2(3) . . ?
N2 C15 C16 117.0(3) . . ?
C10 C9 C8 123.7(4) . . ?
C14 C9 C8 120.1(3) . . ?
C14 C9 C10 116.2(4) . . ?
O4 C19 N3 122.5(4) . . ?
O4 C19 C20 119.9(3) . . ?
N3 C19 C20 117.4(3) . . ?
N2 C7 C6 114.0(3) . . ?
N2 C7 C8 109.9(3) . . ?
C8 C7 C6 109.3(3) . . ?
C13 C12 O2 123.1(4) . . ?
C13 C12 C11 118.6(4) . . ?
C11 C12 O2 118.3(3) . . ?
N3 C16 C15 110.1(3) . . ?
N3 C16 C17 108.7(3) . . ?
N3 C16 C18 111.1(3) . . ?
C17 C16 C15 106.0(3) . . ?
C18 C16 C15 110.8(3) . . ?
C18 C16 C17 110.1(3) . . ?
C4 C3 C5 120.6(4) . . ?
C2 C3 C4 118.3(4) . . ?
C2 C3 C5 121.1(4) . . ?
N4 C20 C19 114.0(3) . . ?
N4 C20 C21 112.4(3) . . ?
C21 C20 C19 110.1(3) . . ?
N1 C6 C7 119.0(3) . . ?
O1 C6 N1 122.5(4) . . ?
O1 C6 C7 118.5(3) . . ?
C3 C4 C3 121.3(5) 7_464 . ?
C12 C13 C14 119.7(4) . . ?
O6 C24 N4 110.7(4) . . ?
O5 C24 O6 126.1(4) . . ?
O5 C24 N4 123.1(4) . . ?
C20 C21 C49 115.8(4) . . ?
N1 C5 C3 111.6(3) . . ?
C1 C2 C3 121.5(4) . . ?
C9 C8 C7 115.3(3) . . ?
C9 C10 C11 121.7(4) . . ?
C9 C14 C13 122.8(4) . . ?
C12 C11 C10 121.0(4) . . ?
C2 C1 C2 119.1(6) . 7_464 ?
C21 C49 C23 108.9(4) . . ?
C22 C49 C21 115.1(4) . . ?
C22 C49 C23 112.2(4) . . ?
O6 C25 C28 109.1(4) . . ?
O6 C25 C27 109.9(5) . . ?
O6 C25 C26 100.6(4) . . ?
C27 C25 C28 112.2(5) . . ?
C27 C25 C26 111.4(5) . . ?
C26 C25 C28 113.0(6) . . ?
