Information card for entry 1559615

Structure parameters

• Formula: C19 H22 N2 O3 S
• Calculated formula: C19 H22 N2 O3 S
• Title of publication: Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones.
• Authors of publication: Liang, Weida; Cai, Xinpei; Dai, Mingji
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1311 - 1316
• a: 17.0085 ± 0.0011 Å
• b: 9.896 ± 0.0007 Å
• c: 10.5439 ± 0.0007 Å
• α: 90°
• β: 92.8684 ± 0.0019°
• γ: 90°
• Cell volume: 1772.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No