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#$Date: 2025-04-05 06:00:57 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/76/7717600.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_7717600
loop_
_publ_author_name
'Lückert, Paula L'
'Gilmer, Jannik'
'Virovets, Alexander'
'Lerner, Hans-Wolfram'
'Wagner, Matthias'
_publ_section_title
;
 Donor-free 9-aluminafluorenes: molecular structures and reactivity.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2301
_journal_page_last               2307
_journal_paper_doi               10.1039/d4dt03148b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C40 H48 Al4 Br8'
_chemical_formula_sum            'C40 H48 Al4 Br8'
_chemical_formula_weight         1275.98
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-10-28 deposited with the CCDC.	2024-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                106.286(6)
_cell_angle_beta                 94.576(5)
_cell_angle_gamma                104.445(6)
_cell_formula_units_Z            1
_cell_length_a                   10.6406(6)
_cell_length_b                   11.0267(8)
_cell_length_c                   11.4135(7)
_cell_measurement_reflns_used    3392
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4040
_cell_measurement_theta_min      3.7480
_cell_volume                     1228.53(15)
_computing_cell_refinement       'CrysAlisPro 1.171.42.43a (Rigaku OD, 2022)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'CrysAlisPro 1.171.42.43a (Rigaku OD, 2022)'
_computing_publication_material  'IUCr PublCIF online service'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT (G. M. Sheldrick, 2015)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'image plate'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate (34 cm diameter)'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0883
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11856
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         3.678
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
_exptl_absorpt_coefficient_mu    6.626
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.43a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_description       plate
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5615
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0857
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4214
_reflns_number_total             5615
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03148b3.cif
_cod_data_source_block           3_2_wa3277
_cod_depositor_comments
'Adding full bibliography for 7717596--7717605.cif.'
_cod_database_code               7717600
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.258
_shelx_estimated_absorpt_t_max   0.692
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.86390(5) 0.83147(5) 0.86578(4) 0.04219(15) Uani 1 1 d . . . . .
Br2 Br 0.60303(4) 0.51268(4) 0.67865(4) 0.03042(12) Uani 1 1 d . . . . .
Br3 Br 0.14595(4) 0.68841(5) 0.33124(4) 0.03988(14) Uani 1 1 d . . . . .
Br4 Br 0.10023(4) 0.39225(4) 0.43260(4) 0.02843(12) Uani 1 1 d . . . . .
Al1 Al 0.74941(12) 0.71978(13) 0.67435(11) 0.0249(3) Uani 1 1 d . . . . .
Al2 Al 0.25963(11) 0.59984(13) 0.44411(11) 0.0245(3) Uani 1 1 d . . . . .
C11 C 0.6767(4) 0.7906(4) 0.5552(4) 0.0239(9) Uani 1 1 d . . . . .
C12 C 0.7474(4) 0.8209(4) 0.4635(4) 0.0257(10) Uani 1 1 d . . . . .
H12 H 0.833901 0.811648 0.465295 0.031 Uiso 1 1 calc R U . . .
C13 C 0.6991(4) 0.8635(4) 0.3702(4) 0.0234(9) Uani 1 1 d . . . . .
C14 C 0.5718(4) 0.8740(4) 0.3685(4) 0.0296(10) Uani 1 1 d . . . . .
H14 H 0.534321 0.901570 0.305748 0.036 Uiso 1 1 calc R U . . .
C15 C 0.4985(4) 0.8445(4) 0.4575(4) 0.0285(10) Uani 1 1 d . . . . .
H15 H 0.411289 0.851711 0.453809 0.034 Uiso 1 1 calc R U . . .
C16 C 0.5492(4) 0.8047(4) 0.5516(4) 0.0242(10) Uani 1 1 d . . . . .
C17 C 0.7841(4) 0.8992(5) 0.2772(4) 0.0327(11) Uani 1 1 d D . . . .
C21 C 0.3422(4) 0.6879(4) 0.6168(4) 0.0234(9) Uani 1 1 d . . . . .
C22 C 0.2777(4) 0.6603(4) 0.7125(4) 0.0246(9) Uani 1 1 d . . . . .
H22 H 0.192071 0.600147 0.691454 0.029 Uiso 1 1 calc R U . . .
C23 C 0.3335(4) 0.7171(4) 0.8383(4) 0.0276(10) Uani 1 1 d . . . . .
C24 C 0.4600(4) 0.8058(4) 0.8644(4) 0.0294(11) Uani 1 1 d . . . . .
H24 H 0.501053 0.847610 0.948179 0.035 Uiso 1 1 calc R U . . .
C25 C 0.5257(4) 0.8337(4) 0.7726(4) 0.0289(11) Uani 1 1 d . . . . .
H25 H 0.611055 0.894461 0.794397 0.035 Uiso 1 1 calc R U . . .
C26 C 0.4705(4) 0.7750(4) 0.6471(4) 0.0233(9) Uani 1 1 d . . . . .
C27 C 0.2638(5) 0.6865(5) 0.9429(4) 0.0350(12) Uani 1 1 d . . . . .
C271 C 0.1257(5) 0.5974(6) 0.8985(5) 0.0600(19) Uani 1 1 d . . . . .
H27A H 0.073880 0.639052 0.855889 0.090 Uiso 1 1 calc R U . . .
H27B H 0.085750 0.581961 0.969380 0.090 Uiso 1 1 calc R U . . .
H27C H 0.127540 0.513176 0.841267 0.090 Uiso 1 1 calc R U . . .
C272 C 0.2593(7) 0.8147(6) 1.0362(5) 0.068(2) Uani 1 1 d . . . . .
H27D H 0.347725 0.876649 1.060368 0.102 Uiso 1 1 calc R U . . .
H27E H 0.227455 0.796443 1.109435 0.102 Uiso 1 1 calc R U . . .
H27F H 0.199800 0.853311 0.998495 0.102 Uiso 1 1 calc R U . . .
C273 C 0.3415(6) 0.6228(7) 1.0105(6) 0.069(2) Uani 1 1 d . . . . .
H27G H 0.334293 0.533523 0.957634 0.103 Uiso 1 1 calc R U . . .
H27H H 0.306707 0.618324 1.086600 0.103 Uiso 1 1 calc R U . . .
H27I H 0.433984 0.674990 1.031170 0.103 Uiso 1 1 calc R U . . .
C17A C 0.9173(8) 0.9910(12) 0.3402(8) 0.076(4) Uani 0.7 1 d D . P A 1
H17A H 0.906625 1.067770 0.402709 0.115 Uiso 0.7 1 calc R U P A 1
H17B H 0.965765 1.020011 0.278865 0.115 Uiso 0.7 1 calc R U P A 1
H17C H 0.966153 0.944920 0.380190 0.115 Uiso 0.7 1 calc R U P A 1
C18A C 0.8068(11) 0.7692(9) 0.1959(8) 0.063(3) Uani 0.7 1 d D . P A 1
H18A H 0.846249 0.728118 0.249209 0.095 Uiso 0.7 1 calc R U P A 1
H18B H 0.865942 0.789299 0.138037 0.095 Uiso 0.7 1 calc R U P A 1
H18C H 0.722398 0.708509 0.149412 0.095 Uiso 0.7 1 calc R U P A 1
C19A C 0.7235(11) 0.9569(9) 0.1917(8) 0.048(3) Uani 0.7 1 d D . P A 1
H19A H 0.639179 0.894968 0.146513 0.071 Uiso 0.7 1 calc R U P A 1
H19B H 0.782491 0.973994 0.132783 0.071 Uiso 0.7 1 calc R U P A 1
H19C H 0.709045 1.039790 0.239551 0.071 Uiso 0.7 1 calc R U P A 1
C17B C 0.843(2) 1.0505(14) 0.327(2) 0.068(7) Uani 0.3 1 d D . P A 2
H17D H 0.771455 1.092432 0.328159 0.102 Uiso 0.3 1 calc R U P A 2
H17E H 0.903230 1.079514 0.273743 0.102 Uiso 0.3 1 calc R U P A 2
H17F H 0.890188 1.075376 0.411383 0.102 Uiso 0.3 1 calc R U P A 2
C18B C 0.8974(19) 0.843(2) 0.263(2) 0.066(6) Uani 0.3 1 d D U P A 2
H18D H 0.947791 0.860887 0.344937 0.099 Uiso 0.3 1 calc R U P A 2
H18E H 0.954188 0.883308 0.212698 0.099 Uiso 0.3 1 calc R U P A 2
H18F H 0.865005 0.747490 0.222736 0.099 Uiso 0.3 1 calc R U P A 2
C19B C 0.705(3) 0.877(3) 0.1545(16) 0.093(13) Uani 0.3 1 d D . P A 2
H19D H 0.657973 0.783567 0.117866 0.140 Uiso 0.3 1 calc R U P A 2
H19E H 0.763715 0.905478 0.099308 0.140 Uiso 0.3 1 calc R U P A 2
H19F H 0.641314 0.928767 0.166222 0.140 Uiso 0.3 1 calc R U P A 2
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
Al2 Br2 Al1 87.86(5) 2_666 . ?
Al2 Br4 Al1 87.02(4) . 2_666 ?
C11 Al1 Br1 127.83(13) . . ?
C11 Al1 Br2 112.69(12) . . ?
Br1 Al1 Br2 108.89(6) . . ?
C11 Al1 Br4 104.53(13) . 2_666 ?
Br1 Al1 Br4 103.97(5) . 2_666 ?
Br2 Al1 Br4 92.13(5) . 2_666 ?
C21 Al2 Br3 124.14(15) . . ?
C21 Al2 Br2 112.64(13) . 2_666 ?
Br3 Al2 Br2 110.83(5) . 2_666 ?
C21 Al2 Br4 108.03(15) . . ?
Br3 Al2 Br4 103.25(5) . . ?
Br2 Al2 Br4 92.55(5) 2_666 . ?
C16 C11 C12 117.3(4) . . ?
C16 C11 Al1 121.9(3) . . ?
C12 C11 Al1 120.7(3) . . ?
C13 C12 C11 124.3(4) . . ?
C13 C12 H12 117.9 . . ?
C11 C12 H12 117.9 . . ?
C14 C13 C12 116.7(4) . . ?
C14 C13 C17 122.4(4) . . ?
C12 C13 C17 120.9(4) . . ?
C13 C14 C15 120.8(4) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C16 C15 C14 121.8(4) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C15 C16 C11 119.1(4) . . ?
C15 C16 C26 121.3(4) . . ?
C11 C16 C26 119.5(4) . . ?
C18B C17 C19B 111.9(15) . . ?
C19A C17 C17A 109.2(7) . . ?
C18B C17 C13 115.8(9) . . ?
C19A C17 C13 114.4(6) . . ?
C19B C17 C13 112.7(12) . . ?
C17A C17 C13 111.5(5) . . ?
C18B C17 C17B 106.5(13) . . ?
C19B C17 C17B 103.4(17) . . ?
C13 C17 C17B 105.3(8) . . ?
C19A C17 C18A 107.2(5) . . ?
C17A C17 C18A 107.0(7) . . ?
C13 C17 C18A 107.2(5) . . ?
C22 C21 C26 118.7(3) . . ?
C22 C21 Al2 120.5(3) . . ?
C26 C21 Al2 120.7(3) . . ?
C21 C22 C23 123.3(4) . . ?
C21 C22 H22 118.4 . . ?
C23 C22 H22 118.4 . . ?
C24 C23 C22 116.1(4) . . ?
C24 C23 C27 120.5(4) . . ?
C22 C23 C27 123.4(4) . . ?
C25 C24 C23 121.8(4) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 121.8(4) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C25 C26 C21 118.2(4) . . ?
C25 C26 C16 119.2(3) . . ?
C21 C26 C16 122.5(3) . . ?
C273 C27 C271 108.9(5) . . ?
C273 C27 C23 109.3(4) . . ?
C271 C27 C23 113.1(4) . . ?
C273 C27 C272 107.1(5) . . ?
C271 C27 C272 108.6(5) . . ?
C23 C27 C272 109.5(5) . . ?
C27 C271 H27A 109.5 . . ?
C27 C271 H27B 109.5 . . ?
H27A C271 H27B 109.5 . . ?
C27 C271 H27C 109.5 . . ?
H27A C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C27 C272 H27D 109.5 . . ?
C27 C272 H27E 109.5 . . ?
H27D C272 H27E 109.5 . . ?
C27 C272 H27F 109.5 . . ?
H27D C272 H27F 109.5 . . ?
H27E C272 H27F 109.5 . . ?
C27 C273 H27G 109.5 . . ?
C27 C273 H27H 109.5 . . ?
H27G C273 H27H 109.5 . . ?
C27 C273 H27I 109.5 . . ?
H27G C273 H27I 109.5 . . ?
H27H C273 H27I 109.5 . . ?
C17 C17A H17A 109.5 . . ?
C17 C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
C17 C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
C17 C18A H18A 109.5 . . ?
C17 C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C17 C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C17 C19A H19A 109.5 . . ?
C17 C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C17 C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C17 C17B H17D 109.5 . . ?
C17 C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C17 C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C17 C18B H18D 109.5 . . ?
C17 C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C17 C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C17 C19B H19D 109.5 . . ?
C17 C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C17 C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 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
Br1 Al1 2.2566(12) . ?
Br2 Al2 2.4278(13) 2_666 ?
Br2 Al1 2.4380(14) . ?
Br3 Al2 2.2634(15) . ?
Br4 Al2 2.4480(14) . ?
Br4 Al1 2.4551(13) 2_666 ?
Al1 C11 1.945(5) . ?
Al2 C21 1.956(4) . ?
C11 C16 1.402(6) . ?
C11 C12 1.404(6) . ?
C12 C13 1.390(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(6) . ?
C13 C17 1.520(6) . ?
C14 C15 1.390(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.388(7) . ?
C15 H15 0.9500 . ?
C16 C26 1.485(6) . ?
C17 C18B 1.488(13) . ?
C17 C19A 1.492(9) . ?
C17 C19B 1.499(14) . ?
C17 C17A 1.505(7) . ?
C17 C17B 1.545(13) . ?
C17 C18A 1.561(8) . ?
C21 C22 1.399(6) . ?
C21 C26 1.410(5) . ?
C22 C23 1.408(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.405(6) . ?
C23 C27 1.527(6) . ?
C24 C25 1.368(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.404(5) . ?
C25 H25 0.9500 . ?
C27 C273 1.504(8) . ?
C27 C271 1.504(6) . ?
C27 C272 1.527(7) . ?
C271 H27A 0.9800 . ?
C271 H27B 0.9800 . ?
C271 H27C 0.9800 . ?
C272 H27D 0.9800 . ?
C272 H27E 0.9800 . ?
C272 H27F 0.9800 . ?
C273 H27G 0.9800 . ?
C273 H27H 0.9800 . ?
C273 H27I 0.9800 . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C17A H17C 0.9800 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
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
C16 C11 C12 C13 0.0(6) . . . . ?
Al1 C11 C12 C13 175.6(3) . . . . ?
C11 C12 C13 C14 -1.1(6) . . . . ?
C11 C12 C13 C17 177.7(4) . . . . ?
C12 C13 C14 C15 0.9(6) . . . . ?
C17 C13 C14 C15 -177.9(4) . . . . ?
C13 C14 C15 C16 0.5(6) . . . . ?
C14 C15 C16 C11 -1.7(6) . . . . ?
C14 C15 C16 C26 179.2(4) . . . . ?
C12 C11 C16 C15 1.4(6) . . . . ?
Al1 C11 C16 C15 -174.2(3) . . . . ?
C12 C11 C16 C26 -179.5(3) . . . . ?
Al1 C11 C16 C26 4.9(5) . . . . ?
C14 C13 C17 C18B -160.5(12) . . . . ?
C12 C13 C17 C18B 20.7(13) . . . . ?
C14 C13 C17 C19A 5.1(7) . . . . ?
C12 C13 C17 C19A -173.7(5) . . . . ?
C14 C13 C17 C19B -29.9(15) . . . . ?
C12 C13 C17 C19B 151.4(15) . . . . ?
C14 C13 C17 C17A 129.6(7) . . . . ?
C12 C13 C17 C17A -49.2(8) . . . . ?
C14 C13 C17 C17B 82.1(11) . . . . ?
C12 C13 C17 C17B -96.6(12) . . . . ?
C14 C13 C17 C18A -113.6(6) . . . . ?
C12 C13 C17 C18A 67.6(6) . . . . ?
C26 C21 C22 C23 1.2(7) . . . . ?
Al2 C21 C22 C23 178.0(4) . . . . ?
C21 C22 C23 C24 0.3(7) . . . . ?
C21 C22 C23 C27 -179.5(5) . . . . ?
C22 C23 C24 C25 -0.9(7) . . . . ?
C27 C23 C24 C25 179.0(5) . . . . ?
C23 C24 C25 C26 -0.1(8) . . . . ?
C24 C25 C26 C21 1.7(7) . . . . ?
C24 C25 C26 C16 -177.2(5) . . . . ?
C22 C21 C26 C25 -2.2(7) . . . . ?
Al2 C21 C26 C25 -178.9(3) . . . . ?
C22 C21 C26 C16 176.7(4) . . . . ?
Al2 C21 C26 C16 0.0(6) . . . . ?
C15 C16 C26 C25 -129.4(4) . . . . ?
C11 C16 C26 C25 51.5(6) . . . . ?
C15 C16 C26 C21 51.7(6) . . . . ?
C11 C16 C26 C21 -127.4(4) . . . . ?
C24 C23 C27 C273 -62.6(6) . . . . ?
C22 C23 C27 C273 117.2(5) . . . . ?
C24 C23 C27 C271 175.8(5) . . . . ?
C22 C23 C27 C271 -4.4(7) . . . . ?
C24 C23 C27 C272 54.4(6) . . . . ?
C22 C23 C27 C272 -125.7(5) . . . . ?
