Information card for entry 2007801

Structure parameters

• Chemical name: 1-Oxa-4-thia-spiro[4.5]decane(s)
• Formula: C13 H22 O2 S
• Calculated formula: C13 H22 O2 S
• SMILES: S1CCO[C@@]21[C@](/C(=C/C)CCC2)(C)CCO.S1CCO[C@]21[C@@](/C(=C/C)CCC2)(C)CCO
• Title of publication: 2-(7-Ethylidene-6-methyl-1-oxa-4-thiaspiro[4.5]dec-7-yl)ethanol
• Authors of publication: Parvez, Masood; Yadav, Veejendra K.; Jeyaraj, Duraiswamy A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1679 - 1681
• a: 12.435 ± 0.003 Å
• b: 7.517 ± 0.003 Å
• c: 28.79 ± 0.004 Å
• α: 90°
• β: 93.344 ± 0.017°
• γ: 90°
• Cell volume: 2686.5 ± 1.3 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• 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: 0.2293
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No