Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions
Loots, Leigh; Haynes, Delia A.; Roex, Tanya le; New Journal of Chemistry 38 (2014) 2778–; doi:10.1039/c4nj00281d

data_7054158
_publ_section_title
;
 Synthesis and solid-state supramolecular chemistry of a series of
 pyridinium-derived zwitterions
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2778
_journal_paper_doi               10.1039/c4nj00281d
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_journal_year                    2014
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(2Z)-3-carboxy-2-(4-carboxypyridinium-1-yl)-1-hydroxyprop-2-en-1-olate
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'X-Seed (Barbour, 2001; Atwood & Barbour, 2003)'
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_refine_ls_structure_factor_coef Fsqd
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;
 w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+0.2297P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4nj00281d2.cif
_cod_data_source_block           5
_cod_depositor_comments
;
Adding full bibliography for 7054154--7054163.cif.

2018-03-04
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        463.2(5)
_cod_original_formula_moiety     'C20 H14 N2 O12'
_cod_original_formula_sum        'C20 H14 N2 O12'
_cod_original_formula_units_Z    1
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_cod_database_code               7054158
_shelx_estimated_absorpt_t_min   0.897
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