Information card for entry 1558448

Structure parameters

• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• Title of publication: Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora
• Authors of publication: Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 9.1387 ± 0.001 Å
• b: 24.286 ± 0.003 Å
• c: 38.773 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8605.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No