<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K
Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.; Acta Crystallographica Section C 51 (1995) 891–892; doi:10.1107/S0108270194012576

data_2003469
_publ_section_title
;<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan
 at 153 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              891
_journal_page_last               892
_journal_paper_doi               10.1107/S0108270194012576
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C17 H30 O Si2'
_chemical_formula_weight         306.59
_chemical_name_systematic
;
 1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho-
  [1,2 c] furan
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.721(2)
_cell_length_b                   19.714(2)
_cell_length_c                   10.4900(10)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     3664.7(7)
_computing_cell_refinement       'DIF4 (Stoe & Cie 1988a)'
_computing_data_collection       'DIF4 (Stoe & Cie 1988a)'
_computing_data_reduction        'REDU4 (Stoe & Cie 1988b)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measurement_device       'Stoe-Siemens four-circle'
_diffrn_measurement_method       'profile data from 2\q/\w'
_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  0.0118
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2412
_diffrn_reflns_theta_max         22.49
_diffrn_reflns_theta_min         4.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.189
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.7
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.226
_refine_diff_density_min         -0.234
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.068
_refine_ls_goodness_of_fit_obs   1.063
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2380
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.064
_refine_ls_restrained_S_obs      1.058
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_obs          0.0361
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^) + (0.0399P)^2^ + 2.6065P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0927
_refine_ls_wR_factor_obs         0.0842
_reflns_number_observed          2013
_reflns_number_total             2380
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ka1100.cif
_cod_data_source_block           ecki
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'C17 H30 O1 Si2'
_cod_database_code               2003469