Information card for entry 4133753

Structure parameters

• Formula: C34 H42 O3
• Calculated formula: C34 H42 O3
• SMILES: O=C1[C@@H]2[C@]([C@@H]3[C@]41CC(=C)[C@](CC3)(C4)C)(COCc1ccccc1)[C@@H](OCc1ccccc1)CCC2(C)C
• 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: 10.7367 ± 0.0004 Å
• b: 22.948 ± 0.0006 Å
• c: 34.1561 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8415.6 ± 0.5 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0711
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No