Crystallography Open Database

Information card for entry 1515351

Preview

Coordinates	1515351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 N3 O4
Calculated formula	C29.95 H9 N3 O4
SMILES	O=C(O)c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)[O-].[NH3+]CCCCCCCCCCCCCCCC
Title of publication	Reverse thermal gelation of aromatic solvents by a series of easily accessible organic salt based gelators
Authors of publication	Sahoo, Pathik; Chakraborty, Indrajit; Dastidar, Parthasarathi
Journal of publication	Soft Matter
Year of publication	2012
Journal volume	8
Journal issue	9
Pages of publication	2595
a	6.323 ± 0.003 Å
b	14.956 ± 0.007 Å
c	16.823 ± 0.008 Å
α	113.73 ± 0.006°
β	95.041 ± 0.007°
γ	94.696 ± 0.007°
Cell volume	1438.7 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1073
Weighted residual factors for significantly intense reflections	0.3101
Weighted residual factors for all reflections included in the refinement	0.3499
Goodness-of-fit parameter for all reflections included in the refinement	1.279
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.	1515351.cif
111148	2014-04-20	cif/ Adding structures of 1515350, 1515351 via cif-deposit CGI script.	1515351.cif