Atropisomerism in amidinoquinoxaline N-oxides: effect of the ring size and substituents on the enantiomerization barriers.
Díaz, Jimena E; Vanthuyne, Nicolas; Rispaud, Hélène; Roussel, Christian; Vega, Daniel; Orelli, Liliana R.; The Journal of organic chemistry 80 (2015) 1689–1695; doi:10.1021/jo502626f

data_4030569
_publ_section_title
;
 Atropisomerism in amidinoquinoxaline N-oxides: effect of the ring size
 and substituents on the enantiomerization barriers.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
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_journal_paper_doi               10.1021/jo502626f
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_journal_year                    2015
_chemical_formula_sum            'C18 H17 N3 O'
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CrysAlisPro, Oxford Diffraction Ltd.,
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  1 omega  -48.00   64.00   1.0000    9.5300
omega____ theta____ kappa____ phi______ frames
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  2 omega    2.00   71.00   1.0000    9.5300
omega____ theta____ kappa____ phi______ frames
    -       21.1364 -113.0000 -163.0000 69

  3 omega  -73.00  -21.00   1.0000    9.5300
omega____ theta____ kappa____ phi______ frames
    -      -21.5270  113.0000  -71.0000 52

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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
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'w=1/[\s^2^(Fo^2^)+(0.1236P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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