Crystallography Open Database

Information card for entry 1519800

1519799 << 1519800 >> 1519801

Preview

Coordinates	1519800.cif

Structure parameters

Formula	C8 H8 O4
Calculated formula	C8 H8 O4
SMILES	c1(c(ccc(c1)OC)O)C(=O)O
Title of publication	2-Hydroxy-5-Methoxybenzoic acid
Authors of publication	Montis, Riccardo; Hook, Callum S.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2007
Pages of publication	344
a	3.9766 ± 0.0003 Å
b	16.1062 ± 0.0013 Å
c	11.5115 ± 0.0009 Å
α	90°
β	90.407 ± 0.005°
γ	90°
Cell volume	737.27 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	1519800.cif
137102	2015-05-21	cif/ Adding structures of 1519800 via cif-deposit CGI script.	1519800.cif