Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.
Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min; Organic letters 18 (2016) 4754–4757; doi:10.1021/acs.orglett.6b02516

data_1555803
_publ_section_title
;
 Iron-Catalyzed \a-Arylation of Deoxybenzoins with Arenes through an
 Oxidative Dehydrogenative Approach.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4754
_journal_page_last               4757
_journal_paper_doi               10.1021/acs.orglett.6b02516
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C21 H16 Cl2 O2'
_chemical_formula_sum            'C21 H16 Cl2 O2'
_chemical_formula_weight         371.24
_space_group_crystal_system      triclinic
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_space_group_name_H-M_alt        'P -1'
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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  1 omega  -18.00    9.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3041  -99.0000    0.0000 27

  2 omega  -17.00   25.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -45.00   65.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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  4 omega   -5.00   76.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega  -19.00   13.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega   36.00   90.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega   50.00   97.00   1.0000    6.0000
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_diffrn_source                   'SuperNova (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'clear light colourless'
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'w=1/[\s^2^(Fo^2^)+(0.0345P)^2^+0.1126P] 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
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20)
2.c Idealised Me refined as rotating group:
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_olex2_submission_special_instructions 'No special instructions were received'