Crystallography Open Database

Information card for entry 1515350

Preview

Coordinates	1515350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H43 N3 O4
Calculated formula	C29 H43 N3 O4
SMILES	O=C([O-])c1ccc(cc1)N=Nc1ccc(cc1)C(=O)O.[NH3+]CCCCCCCCCCCCCCC
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	6.4221 ± 0.0011 Å
b	14.631 ± 0.003 Å
c	15.001 ± 0.003 Å
α	95.239 ± 0.006°
β	94.88 ± 0.007°
γ	99.656 ± 0.007°
Cell volume	1376.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1428
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	1515350.cif
111148	2014-04-20	cif/ Adding structures of 1515350, 1515351 via cif-deposit CGI script.	1515350.cif