The enantioselective generation of bridgehead enolates
Blake, Alexander J.; Giblin, Gerard M. P.; Kirk, Douglas T.; Simpkins, Nigel S.; Wilson, Claire; Chemical Communications  (2001) 2668–; doi:10.1039/b108986m

data_7125534
_publ_section_title
;
 The enantioselective generation of bridgehead enolates
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              2668
_journal_paper_doi               10.1039/b108986m
_journal_year                    2001
_chemical_formula_moiety         'C12 H16 O Si'
_chemical_formula_sum            'C12 H16 O Si'
_chemical_formula_weight         204.34
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
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_atom_sites_solution_primary     direct
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_cell_length_a                   6.1568(6)
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_computing_cell_refinement       'Bruker SAINT version 6.02a (Bruker, 2000)'
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_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL (Bruker, 1997)'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       omega
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.169
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_exptl_absorpt_process_details   'SHELXTL version 5.1 (Bruker, 1997)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       lath
_exptl_crystal_F_000             220
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_refine_diff_density_max         0.29
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(8)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    'riding model'
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_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0266
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.053P)^2^+0.037P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            b108986m.txt
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file
'/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 

The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

data item '_atom_sites_solution_hydrogens' value 'placed
geometrically' was changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        580.3(2)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7125534