Information card for entry 7054532

Structure parameters

• Formula: C17 H30 N2 O S
• Calculated formula: C17 H30 N2 O S
• SMILES: s1c(NC(=O)CCCCCCCCCCCCC)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: 23.237 ± 0.002 Å
• b: 4.9497 ± 0.0003 Å
• c: 15.6429 ± 0.0012 Å
• α: 90°
• β: 90.966 ± 0.008°
• γ: 90°
• Cell volume: 1798.9 ± 0.2 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: 0.1948
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No