Crystallography Open Database

Information card for entry 4507950

Preview

Coordinates	4507950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 N3 O6
Calculated formula	C19 H21 N3 O6
SMILES	NC(=O)N.OC(=O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)cc2)cccc1
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	8.1957 ± 0.0002 Å
b	14.9197 ± 0.0003 Å
c	16.1595 ± 0.0003 Å
α	90°
β	104.386 ± 0.002°
γ	90°
Cell volume	1913.98 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0451
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4507950.cif
87768	2013-08-27	cif/ Adding structures of 4507950 via cif-deposit CGI script.	4507950.cif