Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.
Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang; The Journal of organic chemistry 85 (2020) 8588–8596; doi:10.1021/acs.joc.0c00953

data_4038504
_publ_section_title
;
 Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              8588
_journal_page_last               8596
_journal_paper_doi               10.1021/acs.joc.0c00953
_journal_volume                  85
_journal_year                    2020
_chemical_formula_moiety         'C17 H18 N2 S2'
_chemical_formula_sum            'C17 H18 N2 S2'
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  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
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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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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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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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'A short history of SHELX (Sheldrick, 2007)/Bruker'
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  1 omega  -13.00   24.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -15.00   11.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5772  -99.0000  150.0000 26

  3 omega  -42.00    0.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5772  -19.0000   60.0000 42

  4 omega    0.00   67.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8116   37.0000   60.0000 67

  5 omega   36.00   68.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8116  178.0000 -150.0000 32

  6 omega  -44.00   -3.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5772   83.0000   92.0000 41

  7 omega  -38.00   36.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8116  -57.0000  -90.0000 74

  8 omega  -48.00   36.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8116  -57.0000 -150.0000 84
;
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_orient_matrix_UB_23      -0.0333039000
_diffrn_orient_matrix_UB_31      0.0298090000
_diffrn_orient_matrix_UB_32      0.0480546000
_diffrn_orient_matrix_UB_33      0.0346136000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
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_diffrn_reflns_theta_max         26.00
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_diffrn_source                   'Enhance (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,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description
;
;
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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^)+(0.0362P)^2^+0.3020P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            jo0c00953_si_002.cif
_cod_data_source_block           exp_5909
_cod_depositor_comments          'Adding full bibliography for 4038504.cif.'
_cod_original_cell_volume        796.86(8)
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_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
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