Crystallography Open Database

Information card for entry 1519959

1519958 << 1519959 >> 1519960

Preview

Coordinates	1519959.cif
External links	PubChem

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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519959.cif
176428	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.	1519959.cif
137343	2015-05-26	cif/ Adding structures of 1519959 via cif-deposit CGI script.	1519959.cif