Crystallography Open Database

Information card for entry 7054531

Preview

Coordinates	7054531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 N2 O S
Calculated formula	C16 H28 N2 O S
SMILES	s1c(NC(=O)CCCCCCCCCCCC)ncc1
Title of publication	Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications
Authors of publication	Yadav, Priyanka; Ballabh, Amar
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	1
Pages of publication	721
a	20.6963 ± 0.0008 Å
b	4.89894 ± 0.00019 Å
c	16.9658 ± 0.0007 Å
α	90°
β	97.371 ± 0.004°
γ	90°
Cell volume	1705.95 ± 0.12 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0541
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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