Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.
Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok; Journal of the American Chemical Society 137 (2015) 15176–15184; doi:10.1021/jacs.5b09209

data_4129650
_publ_section_title
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 Selective Silylative Reduction of Pyridines Leading to Structurally
 Diverse Azacyclic Compounds with the Formation of sp&#x00B3; C-Si Bonds.
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_journal_issue                   48
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15176
_journal_page_last               15184
_journal_paper_doi               10.1021/jacs.5b09209
_journal_volume                  137
_journal_year                    2015
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C20 H28 N2 O2 S Si'
_chemical_formula_sum            'C20 H28 N2 O2 S Si'
_chemical_formula_weight         388.59
_space_group_IT_number           78
_space_group_name_Hall           'P 4cw'
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_symmetry_cell_setting           tetragonal
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_cell_angle_alpha                90.00
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_cell_measurement_temperature    120(2)
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_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
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_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.713
_diffrn_measurement_device_type  'Photon 100 CMOS detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6190
_diffrn_reflns_theta_full        25.00
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_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.235
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_exptl_absorpt_correction_T_min  0.9119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             832
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2418
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b09209_si_008.cif
_cod_data_source_block           n0324b-1
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/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.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
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_cod_original_sg_symbol_H-M      P4(3)
_cod_database_code               4129650