Information card for entry 4116689

Structure parameters

• Formula: C17 H22 O4 S
• Calculated formula: C17 H20 O4 S
• Title of publication: Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome
• Authors of publication: Jian Zhang; Shinichi Saito; Toru Koizumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 1631 - 1632
• a: 13.124 ± 0.003 Å
• b: 14.72 ± 0.003 Å
• c: 8.659 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1672.8 ± 0.6 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 0.83
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No