Information card for entry 1556100

Structure parameters

• Formula: C13 H20 O2 S
• Calculated formula: C13 H20 O2 S
• Title of publication: The first 2,2-dialkoxythiirane.
• Authors of publication: Dawid, M.; Mlostoñ, G; Warkentin, J.
• Journal of publication: Organic letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 2455 - 2456
• a: 10.016 ± 0.003 Å
• b: 11.499 ± 0.003 Å
• c: 17.53 ± 0.004 Å
• α: 95.938 ± 0.005°
• β: 100.417 ± 0.006°
• γ: 108.57 ± 0.003°
• Cell volume: 1854 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No