Crystallography Open Database

Information card for entry 4507953

Preview

Coordinates	4507953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 N Na O11
Calculated formula	C18 H28 N Na O11
SMILES	c1(c(cccc1)NC(=O)/C=C/c1ccc(c(c1)OC)OC)C(=O)[O-].[Na+].O.O.O.O.O.O
Title of publication	Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast
Authors of publication	Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3546
a	7.1939 ± 0.0004 Å
b	11.1238 ± 0.0007 Å
c	14.8985 ± 0.001 Å
α	73.134 ± 0.006°
β	89.524 ± 0.005°
γ	71.422 ± 0.006°
Cell volume	1076.83 ± 0.13 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507953.cif
87771	2013-08-27	cif/ Adding structures of 4507953 via cif-deposit CGI script.	4507953.cif