Crystallography Open Database

Information card for entry 1520236

1520235 << 1520236 >> 1520237

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Coordinates	1520236.cif

Structure parameters

Chemical name	Glutaric Acid & 4-Methylimidazole
Formula	C9 H14 N2 O4
Calculated formula	C9 H14 N2 O4
SMILES	C(=O)(CCCC(=O)O)[O-].c1[nH]cc(C)[nH+]1
Title of publication	4-Methylimidazolium glutarate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	467
a	7.536 ± 0.0004 Å
b	14.218 ± 0.0008 Å
c	9.716 ± 0.0006 Å
α	90°
β	96.571 ± 0.003°
γ	90°
Cell volume	1034.2 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520236.cif
137855	2015-06-04	cif/ Adding structures of 1520236 via cif-deposit CGI script.	1520236.cif