Information card for entry 7054533

Structure parameters

• Formula: C18 H32 N2 O S
• Calculated formula: C18 H32 N2 O S
• SMILES: s1c(NC(=O)CCCCCCCCCCCCC)nc(C)c1
• 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: 22.1166 ± 0.0002 Å
• b: 19.4545 ± 0.0002 Å
• c: 9.42062 ± 0.00013 Å
• α: 90°
• β: 101.186 ± 0.0013°
• γ: 90°
• Cell volume: 3976.38 ± 0.08 ų
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No