Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.
Cheng, Biao; Liu, Wenbo; Lu, Zhan; Journal of the American Chemical Society 140 (2018) 5014–5017; doi:10.1021/jacs.8b01638

data_4132108
_publ_section_title
;
 Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated
 Terminal Alkenes.
;
_journal_issue                   15
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5014
_journal_page_last               5017
_journal_paper_doi               10.1021/jacs.8b01638
_journal_volume                  140
_journal_year                    2018
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C15 H18 O2 Si'
_chemical_formula_sum            'C15 H18 O2 Si'
_chemical_formula_weight         258.38
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_atom_sites_solution_hydrogens   geom
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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omega____ theta____ kappa____ phi______ frames
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  4 omega  -79.00  -53.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega   65.00  101.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   53.0000  167.0000 36

  6 omega   97.00  168.00   1.0000    3.0000
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  7 omega  109.00  159.00   1.0000    3.0000
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  8 omega   66.00  158.00   1.0000    3.0000
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  9 omega   98.00  162.00   1.0000    3.0000
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 10 omega   20.00   64.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
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omega____ theta____ kappa____ phi______ frames
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 12 omega  125.00  156.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   53.0000  167.0000 31

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 14 omega   29.00   77.00   1.0000    3.0000
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 15 omega   81.00  121.00   1.0000    3.0000
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    -       93.5000  125.0000 -120.0000 40

 16 omega   60.00  141.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   90.0000 81

 17 omega    8.00  120.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.6938   77.0000   60.0000 112

 18 omega   13.00  116.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.6938   53.0000  -22.0000 103

 19 omega  -32.00   71.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.6938  -53.0000 -157.0000 103

 20 omega -121.00  -18.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -83.0000  125.0000  -30.0000 103

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    -       93.5000   77.0000 -120.0000 36

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    -       93.5000   45.0000  -30.0000 102

 23 omega   66.00  168.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000 -150.0000 102
;
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_diffrn_reflns_theta_full        66.753
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_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_abs_structure_details
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 Classical Flack method preferred over Parsons because s.u. lower.
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C7(H7)
3.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
3.c Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2A), C3(H3), C4(H4), C5(H5), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15)
3.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
3.e Idealised tetrahedral OH refined as rotating group:
 O1(H1), O2(H2)
;
_shelx_res_checksum              75451
_shelx_hkl_checksum              94410
_olex2_submission_special_instructions 'No special instructions were received'