Information card for entry 4518101

Structure parameters

• Formula: C24 H38 O2 S2
• Calculated formula: C24 H38 O2 S2
• Title of publication: Easy Access to Polyfunctionalized Chiral Decalins
• Authors of publication: Santalla, Hugo; Gándara, Zoila; Gómez-Bouzó, Uxía; Gómez, Generosa; Fall, Yagamare
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 7.5432 ± 0.0001 Å
• b: 17.2692 ± 0.0003 Å
• c: 18.1411 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2363.15 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No