Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.; Acta Crystallographica Section E 76 (2020) 318–323; doi:10.1107/S2056989020001413

data_2243272
_publ_section_title
;
 Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              318
_journal_page_last               323
_journal_paper_doi               10.1107/S2056989020001413
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C17 H30 O Si'
_chemical_formula_moiety         'C17 H30 O Si'
_chemical_formula_sum            'C17 H30 O Si'
_chemical_formula_weight         278.50
_chemical_name_systematic
;
1,3-Di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2n'
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_atom_sites_solution_hydrogens   geom
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_computing_cell_refinement
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CrysAlisPro (Rigaku OD, 2018)
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CrysAlisPro (Rigaku OD, 2018)
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CrysAlisPro (Rigaku OD, 2018)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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publCIF (Westrip, 2010)
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ShelXL (Sheldrick, 2015b)
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ShelXT (Sheldrick, 2015a)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
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'Rigaku Oxford Diffraction SuperNova, Dual, Cu at zero, Pilatus 200K'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0227
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_theta_max         74.727
_diffrn_reflns_theta_min         5.065
_diffrn_source                   'micro-focus sealed X-ray tube'
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;
(CrysAlisPro; Rigaku OD, 2018)
;
_exptl_crystal_colour            'clear colourless'
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_exptl_crystal_size_min          0.066
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_refine_diff_density_min         -0.279
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0354
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0463P)^2^+0.6892P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0915
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                1663
_reflns_number_total             1793
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7886sup1.cif
_cod_data_source_block           II
_cod_database_code               2243272
_cod_database_fobs_code          2243272
_shelx_estimated_absorpt_t_min   0.723
_shelx_estimated_absorpt_t_max   0.929
_shelx_res_checksum              98974