Crystallography Open Database

Information card for entry 7054534

Preview

Coordinates	7054534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H30 N2 O S
Calculated formula	C17 H30 N2 O S
SMILES	s1c(NC(=O)CCCCCCCCCCCC)ncc1C
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	4.9139 ± 0.0003 Å
b	8.2041 ± 0.0005 Å
c	23.1603 ± 0.001 Å
α	84.043 ± 0.004°
β	87.033 ± 0.004°
γ	78.743 ± 0.005°
Cell volume	910.3 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0641
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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