Crystallography Open Database

Information card for entry 1519354

1519353 << 1519354 >> 1519355

Preview

Coordinates	1519354.cif

Structure parameters

Formula	C16 H10 O8
Calculated formula	C16 H10 O8
SMILES	c1c(cc(cc1c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
Title of publication	Biphenyl-3,3',5,5'-tetracarboxylic acid
Authors of publication	Hursthouse, Michael B.; Holmes, R.; Coles, Simon J.; Price, D. J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	119
a	8.1662 ± 0.0007 Å
b	14.3524 ± 0.0014 Å
c	12.093 ± 0.001 Å
α	90°
β	109.59 ± 0.004°
γ	90°
Cell volume	1335.3 ± 0.2 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	0.1848
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.2034
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519354.cif
135706	2015-05-07	cif/ Adding structures of 1519354 via cif-deposit CGI script.	1519354.cif