Octabutyltetrasila[2.2]terthiophenophane
Herrema, Jan K.; Wildeman, Jurjen; van Bolhuis, Fré; Hadziioannou, Georges; Acta Crystallographica Section C 50 (1994) 1112–1114; doi:10.1107/S0108270194000612

data_2009859
_publ_section_title
;
 Octabutyltetrasila[2.2]terthiophenophane
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1112
_journal_page_last               1114
_journal_paper_doi               10.1107/S0108270194000612
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C56 H84 S6 Si4'
_chemical_formula_sum            'C56 H84 S6 Si4'
_chemical_formula_weight         1062.02
_chemical_name_systematic
;
1,1,1',1',2,2,2',2'-Octabutyl-1,1',2,2'-tetrasila[2.2](9,20)\a,\a'-
terthiophenophane
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_beta                 93.720(10)
_cell_angle_gamma                97.680(10)
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_cell_length_b                   11.755(2)
_cell_length_c                   12.8620(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    130
_cell_measurement_theta_max      18.6
_cell_measurement_theta_min      9.7
_cell_volume                     1491.2(4)
_computing_cell_refinement       'MolEN (Enraf Nonius)'
_computing_data_collection       'MolEN (Enraf Nonius)'
_computing_data_reduction        'MolEN (Enraf Nonius)'
_computing_molecular_graphics
' PLUTO (Meetsma, 1991 and Motherwell and Clegg, 1978)'
_computing_structure_refinement  'MolEN (Enraf Nonius)'
_computing_structure_solution    'MolEN (Enraf Nonius)'
_diffrn_ambient_temperature      130
_diffrn_measurement_device       'Enraf Nonius CAD-4F'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
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_diffrn_standards_interval_time  180
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellowish-green
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_exptl_crystal_size_mid          0.30
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_refine_diff_density_min         -.34
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          .086
_refine_ls_R_factor_obs          .043
_refine_ls_shift/esd_max         .03
_refine_ls_structure_factor_coef F
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_cod_original_cell_volume        1491.2(6)
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