C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines.
Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.0c01446

data_4038714
_publ_section_title
;
 C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary
 Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl
 Trifluoromethylated Ketimines.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c01446
_journal_year                    2020
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C18 H15 Cl F3 N O5 S'
_chemical_formula_sum            'C18 H15 Cl F3 N O5 S'
_chemical_formula_weight         449.82
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_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
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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)
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omega____ theta____ kappa____ phi______ frames
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  5 omega   66.00   94.00   1.0000    1.0000
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  9 omega   80.00  133.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 10 omega   39.00   89.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 11 omega   46.00   72.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 12 omega   84.00  109.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 13 omega   99.00  127.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 14 omega   40.00   80.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 16 omega   55.00   95.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 17 omega  -67.00  -36.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
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 18 omega    4.00   36.00   1.0000    2.5000
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 19 omega   65.00   99.00   1.0000    2.5000
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 20 omega   17.00   58.00   1.0000    2.5000
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 21 omega   45.00   71.00   1.0000    2.5000
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 22 omega   51.00   91.00   1.0000    7.5000
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 23 omega   89.00  115.00   1.0000    7.5000
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 24 omega   81.00  107.00   1.0000    7.5000
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omega____ theta____ kappa____ phi______ frames
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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 Flack x determined using 1002 quotients [(I+)-(I-)]/[(I+)+(I-)]
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'w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+0.1874P] 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
2.a Ternary CH refined with riding coordinates:
 C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C14(H14), C15(H15), C17(H17), C18(H18)
2.d Idealised Me refined as rotating group:
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_olex2_submission_special_instructions 'No special instructions were received'