Information card for entry 2011699

Structure parameters

• Common name: 1-Oxa-4-thiaspiro[4.5]decane
• Chemical name: ethyl 6-benzylidene-1-oxa-4-thiaspiro[4.5]decane-7-acetate
• Formula: C19 H24 O3 S
• Calculated formula: C19 H24 O3 S
• Title of publication: Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols
• Authors of publication: Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 79 - 81
• a: 10.369 ± 0.002 Å
• b: 20.791 ± 0.003 Å
• c: 8.071 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1740 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes