Toward Singlet-Triplet Bistable Nonalternant Kekulé Hydrocarbons: Azulene-to-Naphthalene Rearrangement.
Das, Soumyajit; Wu, Jishan; Organic letters 17 (2015) 5854–5857; doi:10.1021/acs.orglett.5b03028

data_1540535
_publ_section_title
;
 Toward Singlet-Triplet Bistable Nonalternant Kekul\'e Hydrocarbons:
 Azulene-to-Naphthalene Rearrangement.
;
_journal_issue                   23
_journal_name_full               'Organic letters'
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_journal_page_last               5857
_journal_paper_doi               10.1021/acs.orglett.5b03028
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C44 H28 Cl4 O'
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'SHELXTL, Acta Cryst., Sect. A 2008, 64, 112-122.'
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'SHELXT, Acta Cryst., Sect. A 2015, A71, 3-8.'
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_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker AXS D8 Venture '
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0503P)^2^+1.9762P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments          'Adding full bibliography for 1540535.cif.'
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