Crystallography Open Database

Information card for entry 1519959

1519958 << 1519959 >> 1519960

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Coordinates	1519959.cif

Structure parameters

Chemical name	D-Tartaric Acid
Formula	C4 H6 O6
Calculated formula	C4 H6 O6
SMILES	C(=O)([C@H]([C@@H](C(=O)O)O)O)O
Title of publication	D-Tartaric Acid - C4H4O4
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	553
a	5.0003 ± 0.0003 Å
b	5.9383 ± 0.0002 Å
c	19.9866 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	593.47 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.0504
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1519959.cif
137343	2015-05-26	cif/ Adding structures of 1519959 via cif-deposit CGI script.	1519959.cif