Effects of hydrogen bonding on the gas-phase reactivity of didehydroisoquinolinium cation isomers.
Vinueza, Nelson R.; Jankiewicz, Bartłomiej J; Gallardo, Vanessa A.; Nash, John J.; Kenttämaa, Hilkka I; Physical chemistry chemical physics : PCCP 20 (2018) 21567–21572; doi:10.1039/c8cp03350a

data_7231350
_publ_section_title
;
 Effects of hydrogen bonding on the gas-phase reactivity of
 didehydroisoquinolinium cation isomers.
;
_journal_issue                   33
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              21567
_journal_page_last               21572
_journal_paper_doi               10.1039/c8cp03350a
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C9 H5 I N2 O2'
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_chemical_name_systematic        1-Iodo-5-nitroisoquinoline
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_audit_update_record
;
2018-05-21 deposited with the CCDC.
2018-08-10 downloaded from the CCDC.
;
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;  
SHELXL-2017/1 (Sheldrick, 2017), 
SHELXLE Rev816 (H\"ubschle et al., 2011)
;
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'Rigaku Rapid II curved image plate diffractometer'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0653P)^2^+0.9916P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7231350.cif.'
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