Information card for entry 4133749

Structure parameters

• Formula: C27 H32 O3
• Calculated formula: C27 H32 O3
• Title of publication: Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.
• Authors of publication: Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 51
• Pages of publication: 20048 - 20052
• a: 6.3651 ± 0.0002 Å
• b: 18.5633 ± 0.0007 Å
• c: 19.196 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2268.15 ± 0.15 ų
• Cell temperature: 179.99 ± 0.17 K
• Ambient diffraction temperature: 179.99 ± 0.17 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: 0.0851
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No