Information card for entry 2000261

Structure parameters

• Formula: C10 H14 F3 N O3 S
• Calculated formula: C10 F3 N O3 S
• SMILES: O=S1(=O)C=C(C(O1)(C)C(F)(F)F)N1CCCCC1
• Title of publication: 5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole
• Authors of publication: Tinant, B.; Declercq, J.-P.; Maliverney, C.; Viehe, H. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 2000 - 2002
• a: 9.324 ± 0.002 Å
• b: 12.038 ± 0.003 Å
• c: 11.252 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263 ± 0.5 ų
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No