Crystallography Open Database

Information card for entry 2011939

2011938 << 2011939 >> 2011940

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2011939.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C9 H13 N O8
Calculated formula	C9 H13 N O8
SMILES	O=c1[nH]cccc1.OC(=O)[C@H](O)[C@@H](O)C(=O)O.O
Title of publication	Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids
Authors of publication	Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	5
Pages of publication	627 - 631
a	8.528 ± 0.005 Å
b	20.668 ± 0.008 Å
c	6.5438 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1153.4 ± 0.9 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections	1.8
Goodness-of-fit parameter for all reflections included in the refinement	1.81
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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