Crystallography Open Database

Information card for entry 1520165

1520164 << 1520165 >> 1520166

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Coordinates	1520165.cif

Structure parameters

Chemical name	succinic acid & 2-aminoethanol
Formula	C6 H13 N O5
Calculated formula	C6 H13 N O5
Title of publication	Ethanol-2-ammonium hemisuccinate hemisuccinic acid
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	506
a	5.7652 ± 0.0004 Å
b	8.2911 ± 0.0005 Å
c	9.0772 ± 0.0004 Å
α	87.558 ± 0.004°
β	73.569 ± 0.004°
γ	81.599 ± 0.003°
Cell volume	411.7 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	1520165.cif
137611	2015-06-01	cif/ Adding structures of 1520165 via cif-deposit CGI script.	1520165.cif