Crystallography Open Database

Information card for entry 1520193

1520192 << 1520193 >> 1520194

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Coordinates	1520193.cif

Structure parameters

Chemical name	Glutaric Acid & TEMED
Formula	C16 H32 N2 O8
Calculated formula	C16 H32 N2 O8
Title of publication	Tetramethylethylenediammonium hemitetramethylethylenediammonium triglutarate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	493
a	17.308 ± 0.002 Å
b	9.0088 ± 0.0014 Å
c	18.932 ± 0.003 Å
α	90°
β	105.305 ± 0.007°
γ	90°
Cell volume	2847.3 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.376
Residual factor for significantly intense reflections	0.1472
Weighted residual factors for significantly intense reflections	0.3334
Weighted residual factors for all reflections included in the refinement	0.4538
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	1520193.cif
137652	2015-06-02	cif/ Adding structures of 1520193 via cif-deposit CGI script.	1520193.cif