# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1843709'
_audit_update_record             
;
2018-05-16 deposited with the CCDC.
2018-07-18 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact  O1       ..O3               2.82 Ang.  
RESPONSE: This is a typical O...O distance for antimony bound to this type 
          of tripodal ligand.
;
_vrf_PLAT420_1                   
;
PROBLEM: D-H Without Acceptor       N1       --H1             Please Check 
RESPONSE: This is caused by the interactions of the long alkane tails.
;
_vrf_PLAT906_1                   
;
PROBLEM: Large K Value in the Analysis of Variance ......      2.683 Check 
RESPONSE: The variance was due to strongest reflections. These 
          reflections were examined and there were no immediately obvious
          issues with the data.
;
_vrf_PLAT911_1                   
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600          2 Report
RESPONSE: These reflections were not collected using omega only scans.
;
_vrf_PLAT972_1                   
;
PROBLEM: Check Calcd Resid. Dens.  0.63A   From Sb2            -1.98 eA-3  
RESPONSE: Within the crystal a small (<2%) number of the polymeric sheets
          are disordered along the a-axis.  This is represented by the 
          inclusion of the Sb2 site to show the minor disordered location
          of the antimony atom. Due to the low concentration of disordered
          sites it was deemed futile to model the remaining atom positions.   
          
;
# end Validation Reply Form

_audit_creation_date             2018-02-21T14:10:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_sum            'C14 H26 N O4 Sb'
_chemical_formula_weight         394.11

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_Int_Tables_number      61
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   8.0941(3)
_cell_length_b                   43.971(2)
_cell_length_c                   8.3622(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2976.2(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9891
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      27.12

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.016
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_F_000             1600

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_correction_T_max  0.0202
_exptl_absorpt_correction_T_min  0.0051
_shelx_estimated_absorpt_T_min   0.468
_shelx_estimated_absorpt_T_max   0.971

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(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 APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_number            33512
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.853
_diffrn_reflns_theta_max         27.895
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.921
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.921
_reflns_number_total             3274
_reflns_number_gt                3063
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Eight atoms of carbon tail (C6 < C13) were positionally disordered and 
 modeled over two sites (A and B).  The site occupancies of the two sites 
 A and B were 0.49 and 0.51, respectively.  To help model the disordered 
 components, free variable DFIX and SIMU restraints were applied. The average
 C-C bond distance for the disordered components was 1.514(6) angstroms.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0464P)²+13.9763P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         3274
_refine_ls_number_parameters     260
_refine_ls_number_restraints     321
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.1093
_refine_ls_wR_factor_gt          0.1081
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.281
_refine_diff_density_min         -2.032
_refine_diff_density_rms         0.136

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.69754(3) 0.75413(2) 0.51410(3) 0.02311(12) Uani 0.9849(9) d A .
Sb2 Sb 0.979(3) 0.7444(4) 0.492(2) 0.02311(12) Uani 0.0151(9) d A 3
O1 O 0.6924(4) 0.72728(6) 0.7196(4) 0.0273(6) Uani 1 d . .
O2 O 0.9068(4) 0.73248(7) 0.4548(4) 0.0294(6) Uani 1 d . .
O3 O 0.5881(4) 0.72116(6) 0.3939(4) 0.0282(6) Uani 1 d . .
O4 O 0.5867(4) 0.63421(7) 0.6598(5) 0.0423(8) Uani 1 d . .
N1 N 0.8109(5) 0.65295(9) 0.5388(5) 0.0304(8) Uani 1 d . .
H1 H 0.9029 0.6475 0.4906 0.037 Uiso 1 calc . .
C1 C 0.7760(6) 0.69870(9) 0.7084(5) 0.0287(9) Uani 1 d . .
H1A H 0.7243 0.684 0.783 0.034 Uiso 1 calc . .
H1B H 0.8928 0.7013 0.7405 0.034 Uiso 1 calc . .
C2 C 0.8939(5) 0.70067(10) 0.4234(5) 0.0290(8) Uani 1 d . .
H2A H 1.0033 0.691 0.4383 0.035 Uiso 1 calc A 3
H2B H 0.8598 0.6975 0.3109 0.035 Uiso 1 calc A 3
C3 C 0.6037(5) 0.69067(9) 0.4543(5) 0.0273(8) Uani 1 d . .
H3A H 0.5912 0.6761 0.3649 0.033 Uiso 1 calc . .
H3B H 0.5142 0.6867 0.5322 0.033 Uiso 1 calc . .
C4 C 0.7687(5) 0.68565(10) 0.5343(5) 0.0261(8) Uani 1 d . .
C5 C 0.7225(5) 0.63069(10) 0.6093(6) 0.0298(9) Uani 1 d . .
C6A C 0.815(2) 0.6002(3) 0.595(2) 0.026(3) Uani 0.49(2) d B 1
H6AA H 0.8749 0.5996 0.4922 0.031 Uiso 0.49(2) calc B 1
H6AB H 0.8979 0.5988 0.6823 0.031 Uiso 0.49(2) calc B 1
C7A C 0.700(2) 0.5733(3) 0.606(2) 0.027(3) Uani 0.49(2) d B 1
H7AA H 0.6436 0.5709 0.5015 0.033 Uiso 0.49(2) calc B 1
H7AB H 0.6148 0.5776 0.6872 0.033 Uiso 0.49(2) calc B 1
C8A C 0.787(2) 0.5434(3) 0.648(2) 0.026(3) Uani 0.49(2) d B 1
H8AA H 0.8939 0.5428 0.5915 0.032 Uiso 0.49(2) calc B 1
H8AB H 0.8103 0.5435 0.7642 0.032 Uiso 0.49(2) calc B 1
C9A C 0.693(2) 0.5144(3) 0.609(2) 0.029(3) Uani 0.49(2) d B 1
H9AA H 0.6415 0.5167 0.5019 0.035 Uiso 0.49(2) calc B 1
H9AB H 0.6025 0.5118 0.6875 0.035 Uiso 0.49(2) calc B 1
C10A C 0.801(2) 0.4856(3) 0.609(2) 0.029(3) Uani 0.49(2) d B 1
H10A H 0.8523 0.4834 0.5026 0.035 Uiso 0.49(2) calc B 1
H10B H 0.8906 0.4884 0.6882 0.035 Uiso 0.49(2) calc B 1
C11A C 0.709(2) 0.4563(3) 0.649(2) 0.029(3) Uani 0.49(2) d B 1
H11A H 0.6844 0.4562 0.7649 0.035 Uiso 0.49(2) calc B 1
H11B H 0.6014 0.4566 0.5919 0.035 Uiso 0.49(2) calc B 1
C12A C 0.797(2) 0.4267(3) 0.607(3) 0.030(3) Uani 0.49(2) d B 1
H12A H 0.8242 0.4268 0.4922 0.036 Uiso 0.49(2) calc B 1
H12B H 0.9015 0.4257 0.668 0.036 Uiso 0.49(2) calc B 1
C13A C 0.696(2) 0.3986(3) 0.644(2) 0.035(3) Uani 0.49(2) d B 1
H13A H 0.6727 0.3981 0.76 0.042 Uiso 0.49(2) calc B 1
H13B H 0.5894 0.4 0.587 0.042 Uiso 0.49(2) calc B 1
C6B C 0.804(2) 0.6008(3) 0.642(2) 0.030(3) Uani 0.51(2) d B 2
H6C H 0.8936 0.5986 0.5624 0.036 Uiso 0.51(2) calc B 2
H6D H 0.8588 0.6028 0.7478 0.036 Uiso 0.51(2) calc B 2
C7B C 0.715(2) 0.5719(3) 0.645(2) 0.027(3) Uani 0.51(2) d B 2
H7C H 0.6229 0.5734 0.5666 0.033 Uiso 0.51(2) calc B 2
H7D H 0.6641 0.5696 0.7518 0.033 Uiso 0.51(2) calc B 2
C8B C 0.8101(19) 0.5429(3) 0.608(2) 0.028(3) Uani 0.51(2) d B 2
H8C H 0.8375 0.5422 0.4929 0.034 Uiso 0.51(2) calc B 2
H8D H 0.9151 0.5429 0.6691 0.034 Uiso 0.51(2) calc B 2
C9B C 0.710(2) 0.5149(3) 0.652(2) 0.029(3) Uani 0.51(2) d B 2
H9C H 0.6675 0.5182 0.7618 0.035 Uiso 0.51(2) calc B 2
H9D H 0.6135 0.5144 0.5803 0.035 Uiso 0.51(2) calc B 2
C10B C 0.784(2) 0.4845(3) 0.649(2) 0.029(3) Uani 0.51(2) d B 2
H10C H 0.8327 0.4809 0.7563 0.035 Uiso 0.51(2) calc B 2
H10D H 0.8765 0.4851 0.5724 0.035 Uiso 0.51(2) calc B 2
C11B C 0.680(2) 0.4569(3) 0.609(2) 0.030(3) Uani 0.51(2) d B 2
H11C H 0.6438 0.4584 0.4961 0.035 Uiso 0.51(2) calc B 2
H11D H 0.5803 0.4568 0.6771 0.035 Uiso 0.51(2) calc B 2
C12B C 0.774(2) 0.4272(3) 0.632(3) 0.030(3) Uani 0.51(2) d B 2
H12C H 0.8721 0.4274 0.5624 0.036 Uiso 0.51(2) calc B 2
H12D H 0.8129 0.4263 0.7445 0.036 Uiso 0.51(2) calc B 2
C13B C 0.6741(17) 0.3988(3) 0.597(2) 0.029(3) Uani 0.51(2) d B 2
H13C H 0.6203 0.401 0.4918 0.035 Uiso 0.51(2) calc B 2
H13D H 0.5858 0.3968 0.6788 0.035 Uiso 0.51(2) calc B 2
C14 C 0.7796(6) 0.36938(10) 0.5973(7) 0.0378(11) Uani 1 d . .
H14A H 0.6972 0.3531 0.5916 0.057 Uiso 0.49(2) calc B 1
H14B H 0.8634 0.3642 0.6774 0.057 Uiso 0.49(2) calc B 1
H14C H 0.8324 0.3718 0.4927 0.057 Uiso 0.49(2) calc B 1
H14D H 0.7143 0.3525 0.6407 0.057 Uiso 0.51(2) calc B 2
H14E H 0.8781 0.3724 0.6636 0.057 Uiso 0.51(2) calc B 2
H14F H 0.8132 0.3646 0.4876 0.057 Uiso 0.51(2) calc B 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Sb1 Sb2 1.77(2) 4_466 ?
Sb1 O3 1.974(3) . ?
Sb1 O2 2.005(3) . ?
Sb1 O1 2.085(3) . ?
Sb1 Sb2 2.32(2) . ?
Sb1 O2 2.440(3) 4_466 ?
O1 C1 1.430(5) . ?
O2 C2 1.427(5) . ?
O2 Sb1 2.440(3) 4_566 ?
O3 C3 1.438(5) . ?
O3 Sb2 2.00(2) 4_466 ?
O4 C5 1.188(6) . ?
N1 C5 1.348(6) . ?
N1 C4 1.479(6) . ?
N1 H1 0.88 . ?
C1 C4 1.566(6) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 C4 1.524(6) . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C3 C4 1.510(6) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C5 C6B 1.496(12) . ?
C5 C6A 1.540(12) . ?
C6A C7A 1.506(14) . ?
C6A H6AA 0.99 . ?
C6A H6AB 0.99 . ?
C7A C8A 1.531(14) . ?
C7A H7AA 0.99 . ?
C7A H7AB 0.99 . ?
C8A C9A 1.520(15) . ?
C8A H8AA 0.99 . ?
C8A H8AB 0.99 . ?
C9A C10A 1.539(14) . ?
C9A H9AA 0.99 . ?
C9A H9AB 0.99 . ?
C10A C11A 1.526(15) . ?
C10A H10A 0.99 . ?
C10A H10B 0.99 . ?
C11A C12A 1.521(15) . ?
C11A H11A 0.99 . ?
C11A H11B 0.99 . ?
C12A C13A 1.509(16) . ?
C12A H12A 0.99 . ?
C12A H12B 0.99 . ?
C13A C14 1.502(13) . ?
C13A H13A 0.99 . ?
C13A H13B 0.99 . ?
C6B C7B 1.465(13) . ?
C6B H6C 0.99 . ?
C6B H6D 0.99 . ?
C7B C8B 1.523(15) . ?
C7B H7C 0.99 . ?
C7B H7D 0.99 . ?
C8B C9B 1.517(15) . ?
C8B H8C 0.99 . ?
C8B H8D 0.99 . ?
C9B C10B 1.460(14) . ?
C9B H9C 0.99 . ?
C9B H9D 0.99 . ?
C10B C11B 1.514(14) . ?
C10B H10C 0.99 . ?
C10B H10D 0.99 . ?
C11B C12B 1.520(15) . ?
C11B H11C 0.99 . ?
C11B H11D 0.99 . ?
C12B C13B 1.517(15) . ?
C12B H12C 0.99 . ?
C12B H12D 0.99 . ?
C13B C14 1.549(12) . ?
C13B H13C 0.99 . ?
C13B H13D 0.99 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C14 H14D 0.98 . ?
C14 H14E 0.98 . ?
C14 H14F 0.98 . ?

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
O3 Sb1 O2 84.52(13) . . ?
O3 Sb1 O1 89.71(12) . . ?
O2 Sb1 O1 87.24(12) . . ?
O3 Sb1 Sb2 105.3(5) . . ?
O2 Sb1 Sb2 20.9(5) . . ?
O1 Sb1 Sb2 88.9(5) . . ?
Sb2 Sb1 O2 14.3(6) 4_466 4_466 ?
O3 Sb1 O2 78.38(12) . 4_466 ?
O2 Sb1 O2 162.87(7) . 4_466 ?
O1 Sb1 O2 91.69(11) . 4_466 ?
Sb2 Sb1 O2 176.3(5) . 4_466 ?
C1 O1 Sb1 115.7(2) . . ?
C2 O2 Sb1 116.7(3) . . ?
C2 O2 Sb1 109.0(2) . 4_566 ?
Sb1 O2 Sb1 132.37(15) . 4_566 ?
C3 O3 Sb1 117.8(2) . . ?
C5 N1 C4 126.5(4) . . ?
C5 N1 H1 116.8 . . ?
C4 N1 H1 116.8 . . ?
O1 C1 C4 111.4(3) . . ?
O1 C1 H1A 109.3 . . ?
C4 C1 H1A 109.3 . . ?
O1 C1 H1B 109.3 . . ?
C4 C1 H1B 109.3 . . ?
H1A C1 H1B 108 . . ?
O2 C2 C4 111.2(3) . . ?
O2 C2 H2A 109.4 . . ?
C4 C2 H2A 109.4 . . ?
O2 C2 H2B 109.4 . . ?
C4 C2 H2B 109.4 . . ?
H2A C2 H2B 108 . . ?
O3 C3 C4 111.7(3) . . ?
O3 C3 H3A 109.3 . . ?
C4 C3 H3A 109.3 . . ?
O3 C3 H3B 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
N1 C4 C3 111.0(3) . . ?
N1 C4 C2 106.5(4) . . ?
C3 C4 C2 104.8(4) . . ?
N1 C4 C1 108.9(3) . . ?
C3 C4 C1 113.0(4) . . ?
C2 C4 C1 112.5(4) . . ?
O4 C5 N1 123.5(4) . . ?
O4 C5 C6B 117.3(8) . . ?
N1 C5 C6B 118.9(8) . . ?
O4 C5 C6A 126.2(8) . . ?
N1 C5 C6A 109.9(7) . . ?
C7A C6A C5 112.2(11) . . ?
C7A C6A H6AA 109.2 . . ?
C5 C6A H6AA 109.2 . . ?
C7A C6A H6AB 109.2 . . ?
C5 C6A H6AB 109.2 . . ?
H6AA C6A H6AB 107.9 . . ?
C6A C7A C8A 113.9(13) . . ?
C6A C7A H7AA 108.8 . . ?
C8A C7A H7AA 108.8 . . ?
C6A C7A H7AB 108.8 . . ?
C8A C7A H7AB 108.8 . . ?
H7AA C7A H7AB 107.7 . . ?
C9A C8A C7A 116.3(15) . . ?
C9A C8A H8AA 108.2 . . ?
C7A C8A H8AA 108.2 . . ?
C9A C8A H8AB 108.2 . . ?
C7A C8A H8AB 108.2 . . ?
H8AA C8A H8AB 107.4 . . ?
C8A C9A C10A 114.0(13) . . ?
C8A C9A H9AA 108.8 . . ?
C10A C9A H9AA 108.8 . . ?
C8A C9A H9AB 108.8 . . ?
C10A C9A H9AB 108.8 . . ?
H9AA C9A H9AB 107.7 . . ?
C11A C10A C9A 114.8(13) . . ?
C11A C10A H10A 108.6 . . ?
C9A C10A H10A 108.6 . . ?
C11A C10A H10B 108.6 . . ?
C9A C10A H10B 108.6 . . ?
H10A C10A H10B 107.5 . . ?
C12A C11A C10A 116.4(14) . . ?
C12A C11A H11A 108.2 . . ?
C10A C11A H11A 108.2 . . ?
C12A C11A H11B 108.2 . . ?
C10A C11A H11B 108.2 . . ?
H11A C11A H11B 107.3 . . ?
C13A C12A C11A 113.7(13) . . ?
C13A C12A H12A 108.8 . . ?
C11A C12A H12A 108.8 . . ?
C13A C12A H12B 108.8 . . ?
C11A C12A H12B 108.8 . . ?
H12A C12A H12B 107.7 . . ?
C14 C13A C12A 114.0(13) . . ?
C14 C13A H13A 108.7 . . ?
C12A C13A H13A 108.7 . . ?
C14 C13A H13B 108.7 . . ?
C12A C13A H13B 108.7 . . ?
H13A C13A H13B 107.6 . . ?
C7B C6B C5 123.1(13) . . ?
C7B C6B H6C 106.6 . . ?
C5 C6B H6C 106.6 . . ?
C7B C6B H6D 106.6 . . ?
C5 C6B H6D 106.6 . . ?
H6C C6B H6D 106.5 . . ?
C6B C7B C8B 118.3(13) . . ?
C6B C7B H7C 107.7 . . ?
C8B C7B H7C 107.7 . . ?
C6B C7B H7D 107.7 . . ?
C8B C7B H7D 107.7 . . ?
H7C C7B H7D 107.1 . . ?
C9B C8B C7B 111.2(13) . . ?
C9B C8B H8C 109.4 . . ?
C7B C8B H8C 109.4 . . ?
C9B C8B H8D 109.4 . . ?
C7B C8B H8D 109.4 . . ?
H8C C8B H8D 108 . . ?
C10B C9B C8B 121.4(13) . . ?
C10B C9B H9C 107 . . ?
C8B C9B H9C 107 . . ?
C10B C9B H9D 107 . . ?
C8B C9B H9D 107 . . ?
H9C C9B H9D 106.7 . . ?
C9B C10B C11B 120.7(13) . . ?
C9B C10B H10C 107.1 . . ?
C11B C10B H10C 107.1 . . ?
C9B C10B H10D 107.1 . . ?
C11B C10B H10D 107.1 . . ?
H10C C10B H10D 106.8 . . ?
C10B C11B C12B 112.6(12) . . ?
C10B C11B H11C 109.1 . . ?
C12B C11B H11C 109.1 . . ?
C10B C11B H11D 109.1 . . ?
C12B C11B H11D 109.1 . . ?
H11C C11B H11D 107.8 . . ?
C13B C12B C11B 114.8(14) . . ?
C13B C12B H12C 108.6 . . ?
C11B C12B H12C 108.6 . . ?
C13B C12B H12D 108.6 . . ?
C11B C12B H12D 108.6 . . ?
H12C C12B H12D 107.5 . . ?
C12B C13B C14 113.3(10) . . ?
C12B C13B H13C 108.9 . . ?
C14 C13B H13C 108.9 . . ?
C12B C13B H13D 108.9 . . ?
C14 C13B H13D 108.9 . . ?
H13C C13B H13D 107.7 . . ?
C13A C14 H14A 109.5 . . ?
C13A C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13A C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13B C14 H14D 109.5 . . ?
C13B C14 H14E 109.5 . . ?
H14D C14 H14E 109.5 . . ?
C13B C14 H14F 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?

