#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:34:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179851 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/47/7014735.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7014735
loop_
_publ_author_name
'Li, Chen-Yu'
'Tsai, Chen-Yen'
'Lin, Chia-Her'
'Ko, Bao-Tsan'
_publ_section_title
;
 Synthesis, structural characterization and reactivity of aluminium
 complexes supported by benzotriazole phenoxide ligands: air-stable
 alumoxane as an efficient catalyst for ring-opening polymerization of
 l-lactide.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1880
_journal_page_last               1887
_journal_paper_doi               10.1039/c0dt01108h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C22 H30 Al N3 O'
_chemical_formula_sum            'C22 H30 Al N3 O'
_chemical_formula_weight         379.47
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.867(3)
_cell_angle_beta                 93.234(3)
_cell_angle_gamma                106.608(2)
_cell_formula_units_Z            2
_cell_length_a                   6.7876(3)
_cell_length_b                   10.5043(4)
_cell_length_c                   17.6083(9)
_cell_measurement_temperature    296(2)
_cell_volume                     1163.14(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18275
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  0.9652
_exptl_absorpt_correction_T_min  0.9461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         5618
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0975P)²+0.3520P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.2049
_reflns_number_gt                3352
_reflns_number_total             5618
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01108H.TXT
_cod_data_source_block           yu14_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_database_code               7014735
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Al Al 0.83333(11) 0.37784(7) 0.13526(4) 0.0535(2) Uani 1 1 d . . .
O1 O 0.7066(3) 0.31844(15) 0.21060(9) 0.0568(4) Uani 1 1 d . . .
N1 N 0.7979(3) 0.18824(18) 0.07590(10) 0.0484(4) Uani 1 1 d . . .
N2 N 0.7511(2) 0.08023(17) 0.10834(10) 0.0437(4) Uani 1 1 d . . .
N3 N 0.7196(3) -0.04077(18) 0.05945(11) 0.0505(5) Uani 1 1 d . . .
C1 C 0.7111(3) 0.2108(2) 0.23830(12) 0.0469(5) Uani 1 1 d . . .
C2 C 0.7361(3) 0.0919(2) 0.19063(12) 0.0437(5) Uani 1 1 d . . .
C3 C 0.7355(4) -0.0227(2) 0.21792(13) 0.0530(5) Uani 1 1 d . . .
H3B H 0.7519 -0.0996 0.1841 0.064 Uiso 1 1 calc R . .
C4 C 0.7108(4) -0.0222(2) 0.29460(14) 0.0617(6) Uani 1 1 d . . .
C5 C 0.6851(5) 0.0954(3) 0.34222(14) 0.0672(7) Uani 1 1 d . . .
H5A H 0.6671 0.0960 0.3943 0.081 Uiso 1 1 calc R . .
C6 C 0.6845(4) 0.2111(2) 0.31757(13) 0.0584(6) Uani 1 1 d . . .
C7 C 0.7968(3) 0.1303(3) -0.00158(13) 0.0523(5) Uani 1 1 d . . .
C8 C 0.8297(4) 0.1902(3) -0.06524(14) 0.0690(7) Uani 1 1 d . . .
H8A H 0.8601 0.2843 -0.0593 0.083 Uiso 1 1 calc R . .
C9 C 0.8144(5) 0.1015(4) -0.13660(16) 0.0840(9) Uani 1 1 d . . .
H9A H 0.8347 0.1368 -0.1805 0.101 Uiso 1 1 calc R . .
C10 C 0.7694(4) -0.0405(4) -0.14651(16) 0.0804(9) Uani 1 1 d . . .
H10A H 0.7622 -0.0957 -0.1965 0.096 Uiso 1 1 calc R . .
C11 C 0.7360(4) -0.0999(3) -0.08532(15) 0.0687(7) Uani 1 1 d . . .
H11A H 0.7060 -0.1942 -0.0922 0.082 Uiso 1 1 calc R . .
C12 C 0.7492(3) -0.0110(3) -0.01073(13) 0.0534(6) Uani 1 1 d . . .
C13 C 0.6531(6) 0.3373(3) 0.37361(15) 0.0818(9) Uani 1 1 d . . .
C14 C 0.4616(6) 0.3666(4) 0.34230(19) 0.1027(12) Uani 1 1 d . . .
H14A H 0.4767 0.3824 0.2910 0.154 Uiso 1 1 calc R . .
H14B H 0.4456 0.4466 0.3770 0.154 Uiso 1 1 calc R . .
H14C H 0.3414 0.2895 0.3391 0.154 Uiso 1 1 calc R . .
C15 C 0.6229(9) 0.3127(4) 0.45635(18) 0.1334(18) Uani 1 1 d . . .
H15A H 0.6037 0.3924 0.4901 0.200 Uiso 1 1 calc R . .
H15B H 0.7432 0.2955 0.4777 0.200 Uiso 1 1 calc R . .
H15C H 0.5032 0.2349 0.4524 0.200 Uiso 1 1 calc R . .
C16 C 0.8464(7) 0.4612(3) 0.38255(19) 0.1104(13) Uani 1 1 d . . .
H16A H 0.8687 0.4790 0.3320 0.166 Uiso 1 1 calc R . .
H16B H 0.9647 0.4420 0.4041 0.166 Uiso 1 1 calc R . .
H16C H 0.8270 0.5401 0.4171 0.166 Uiso 1 1 calc R . .
C17 C 0.7102(7) -0.1455(3) 0.32776(19) 0.0944(11) Uani 1 1 d . . .
C18 C 0.7156(8) -0.2691(4) 0.2638(2) 0.1288(16) Uani 1 1 d . . .
H18A H 0.8417 -0.2461 0.2407 0.193 Uiso 1 1 calc R . .
H18B H 0.5990 -0.2939 0.2241 0.193 Uiso 1 1 calc R . .
H18C H 0.7095 -0.3450 0.2865 0.193 Uiso 1 1 calc R . .
C19 C 0.5026(11) -0.1943(5) 0.3599(3) 0.186(3) Uani 1 1 d . . .
H19A H 0.5000 -0.2716 0.3808 0.278 Uiso 1 1 calc R . .
H19B H 0.3905 -0.2204 0.3182 0.278 Uiso 1 1 calc R . .
H19C H 0.4880 -0.1212 0.4007 0.278 Uiso 1 1 calc R . .
C20 C 0.8838(14) -0.1060(5) 0.3898(4) 0.280(6) Uani 1 1 d . . .
H20A H 1.0115 -0.0761 0.3687 0.419 Uiso 1 1 calc R . .
H20B H 0.8825 -0.1832 0.4106 0.419 Uiso 1 1 calc R . .
H20C H 0.8715 -0.0325 0.4309 0.419 Uiso 1 1 calc R . .
C21 C 0.6751(5) 0.4552(3) 0.07280(18) 0.0819(9) Uani 1 1 d . . .
H21A H 0.6892 0.5478 0.1001 0.123 Uiso 1 1 calc R . .
H21D H 0.5316 0.4014 0.0644 0.123 Uiso 1 1 calc R . .
H21B H 0.7266 0.4543 0.0231 0.123 Uiso 1 1 calc R . .
C22 C 1.1275(5) 0.4715(3) 0.1658(2) 0.0982(11) Uani 1 1 d . . .
H22D H 1.1475 0.5642 0.1948 0.147 Uiso 1 1 calc R . .
H22A H 1.1962 0.4721 0.1196 0.147 Uiso 1 1 calc R . .
H22B H 1.1842 0.4247 0.1980 0.147 Uiso 1 1 calc R . .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Al C22 113.55(13) . . ?
O1 Al C21 114.20(11) . . ?
C22 Al C21 118.42(15) . . ?
O1 Al N1 90.99(8) . . ?
C22 Al N1 108.37(12) . . ?
C21 Al N1 107.32(12) . . ?
C1 O1 Al 129.10(14) . . ?
N2 N1 C7 103.73(18) . . ?
N2 N1 Al 123.27(13) . . ?
C7 N1 Al 132.85(16) . . ?
N3 N2 N1 115.63(16) . . ?
N3 N2 C2 120.58(17) . . ?
N1 N2 C2 123.79(16) . . ?
N2 N3 C12 103.62(18) . . ?
O1 C1 C2 122.13(18) . . ?
O1 C1 C6 120.77(19) . . ?
C2 C1 C6 117.07(19) . . ?
C3 C2 C1 122.94(19) . . ?
C3 C2 N2 116.48(18) . . ?
C1 C2 N2 120.47(18) . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3B 120.0 . . ?
C2 C3 H3B 120.0 . . ?
C3 C4 C5 117.4(2) . . ?
C3 C4 C17 122.0(2) . . ?
C5 C4 C17 120.6(2) . . ?
C6 C5 C4 124.5(2) . . ?
C6 C5 H5A 117.7 . . ?
C4 C5 H5A 117.7 . . ?
C5 C6 C1 118.1(2) . . ?
C5 C6 C13 121.6(2) . . ?
C1 C6 C13 120.3(2) . . ?
N1 C7 C12 107.4(2) . . ?
N1 C7 C8 130.5(2) . . ?
C12 C7 C8 122.1(2) . . ?
C9 C8 C7 115.7(3) . . ?
C9 C8 H8A 122.1 . . ?
C7 C8 H8A 122.1 . . ?
C8 C9 C10 122.8(3) . . ?
C8 C9 H9A 118.6 . . ?
C10 C9 H9A 118.6 . . ?
C11 C10 C9 122.0(3) . . ?
C11 C10 H10A 119.0 . . ?
C9 C10 H10A 119.0 . . ?
C10 C11 C12 116.5(3) . . ?
C10 C11 H11A 121.7 . . ?
C12 C11 H11A 121.7 . . ?
N3 C12 C7 109.63(19) . . ?
N3 C12 C11 129.5(3) . . ?
C7 C12 C11 120.8(2) . . ?
C14 C13 C16 110.7(3) . . ?
C14 C13 C6 110.3(2) . . ?
C16 C13 C6 109.2(3) . . ?
C14 C13 C15 108.0(3) . . ?
C16 C13 C15 107.7(3) . . ?
C6 C13 C15 110.9(2) . . ?
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 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C20 C17 C18 111.1(4) . . ?
C20 C17 C4 109.7(3) . . ?
C18 C17 C4 112.0(2) . . ?
C20 C17 C19 110.7(5) . . ?
C18 C17 C19 104.7(3) . . ?
C4 C17 C19 108.6(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Al C21 H21A 109.5 . . ?
Al C21 H21D 109.5 . . ?
H21A C21 H21D 109.5 . . ?
Al C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21D C21 H21B 109.5 . . ?
Al C22 H22D 109.5 . . ?
Al C22 H22A 109.5 . . ?
H22D C22 H22A 109.5 . . ?
Al C22 H22B 109.5 . . ?
H22D C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
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
Al O1 1.7549(17) . ?
Al C22 1.940(3) . ?
Al C21 1.946(3) . ?
Al N1 1.9717(19) . ?
O1 C1 1.334(2) . ?
N1 N2 1.348(2) . ?
N1 C7 1.363(3) . ?
N2 N3 1.319(2) . ?
N2 C2 1.439(3) . ?
N3 C12 1.353(3) . ?
C1 C2 1.401(3) . ?
C1 C6 1.417(3) . ?
C2 C3 1.391(3) . ?
C3 C4 1.369(3) . ?
C3 H3B 0.9300 . ?
C4 C5 1.392(3) . ?
C4 C17 1.535(3) . ?
C5 C6 1.379(3) . ?
C5 H5A 0.9300 . ?
C6 C13 1.543(3) . ?
C7 C12 1.395(3) . ?
C7 C8 1.401(3) . ?
C8 C9 1.366(4) . ?
C8 H8A 0.9300 . ?
C9 C10 1.402(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.360(4) . ?
C10 H10A 0.9300 . ?
C11 C12 1.414(3) . ?
C11 H11A 0.9300 . ?
C13 C14 1.521(5) . ?
C13 C16 1.533(5) . ?
C13 C15 1.550(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C20 1.458(6) . ?
C17 C18 1.529(5) . ?
C17 C19 1.540(6) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21D 0.9600 . ?
C21 H21B 0.9600 . ?
C22 H22D 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
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
C22 Al O1 C1 -75.2(2) . . . . ?
C21 Al O1 C1 144.9(2) . . . . ?
N1 Al O1 C1 35.39(19) . . . . ?
O1 Al N1 N2 -16.94(16) . . . . ?
C22 Al N1 N2 98.32(19) . . . . ?
C21 Al N1 N2 -132.72(17) . . . . ?
O1 Al N1 C7 157.7(2) . . . . ?
C22 Al N1 C7 -87.1(2) . . . . ?
C21 Al N1 C7 41.9(2) . . . . ?
C7 N1 N2 N3 -0.2(2) . . . . ?
Al N1 N2 N3 175.78(13) . . . . ?
C7 N1 N2 C2 179.46(17) . . . . ?
Al N1 N2 C2 -4.6(3) . . . . ?
N1 N2 N3 C12 0.5(2) . . . . ?
C2 N2 N3 C12 -179.18(17) . . . . ?
Al O1 C1 C2 -31.1(3) . . . . ?
Al O1 C1 C6 150.68(19) . . . . ?
O1 C1 C2 C3 -178.2(2) . . . . ?
C6 C1 C2 C3 0.1(3) . . . . ?
O1 C1 C2 N2 -2.1(3) . . . . ?
C6 C1 C2 N2 176.12(19) . . . . ?
N3 N2 C2 C3 14.4(3) . . . . ?
N1 N2 C2 C3 -165.23(18) . . . . ?
N3 N2 C2 C1 -161.94(19) . . . . ?
N1 N2 C2 C1 18.5(3) . . . . ?
C1 C2 C3 C4 -0.4(4) . . . . ?
N2 C2 C3 C4 -176.6(2) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C2 C3 C4 C17 -179.6(3) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C17 C4 C5 C6 179.7(3) . . . . ?
C4 C5 C6 C1 0.2(4) . . . . ?
C4 C5 C6 C13 179.4(3) . . . . ?
O1 C1 C6 C5 178.3(2) . . . . ?
C2 C1 C6 C5 0.0(4) . . . . ?
O1 C1 C6 C13 -0.9(4) . . . . ?
C2 C1 C6 C13 -179.2(2) . . . . ?
N2 N1 C7 C12 -0.2(2) . . . . ?
Al N1 C7 C12 -175.58(15) . . . . ?
N2 N1 C7 C8 178.4(2) . . . . ?
Al N1 C7 C8 3.0(4) . . . . ?
N1 C7 C8 C9 -179.0(2) . . . . ?
C12 C7 C8 C9 -0.6(3) . . . . ?
C7 C8 C9 C10 -0.2(4) . . . . ?
C8 C9 C10 C11 0.6(4) . . . . ?
C9 C10 C11 C12 -0.1(4) . . . . ?
N2 N3 C12 C7 -0.6(2) . . . . ?
N2 N3 C12 C11 -179.9(2) . . . . ?
N1 C7 C12 N3 0.5(2) . . . . ?
C8 C7 C12 N3 -178.2(2) . . . . ?
N1 C7 C12 C11 179.87(19) . . . . ?
C8 C7 C12 C11 1.2(3) . . . . ?
C10 C11 C12 N3 178.5(2) . . . . ?
C10 C11 C12 C7 -0.7(3) . . . . ?
C5 C6 C13 C14 -119.9(3) . . . . ?
C1 C6 C13 C14 59.2(4) . . . . ?
C5 C6 C13 C16 118.2(3) . . . . ?
C1 C6 C13 C16 -62.6(3) . . . . ?
C5 C6 C13 C15 -0.4(5) . . . . ?
C1 C6 C13 C15 178.8(3) . . . . ?
C3 C4 C17 C20 117.5(5) . . . . ?
C5 C4 C17 C20 -62.8(6) . . . . ?
C3 C4 C17 C18 -6.3(5) . . . . ?
C5 C4 C17 C18 173.4(3) . . . . ?
C3 C4 C17 C19 -121.5(4) . . . . ?
C5 C4 C17 C19 58.3(4) . . . . ?
