Information card for entry 4134186

Structure parameters

• Formula: C25 H36 O6 Si
• Calculated formula: C25 H36 O6 Si
• SMILES: [Si](O[C@]12CC[C@@H]3C[C@@H](O)C(=O)[C@]13CC(=O)[C@@]13O[C@]4(OC)CC[C@]3([C@H](CC=C21)C4)C)(C)(C)C
• Title of publication: Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.
• Authors of publication: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 8
• Pages of publication: 3675 - 3679
• a: 10.8561 ± 0.0001 Å
• b: 10.8561 ± 0.0001 Å
• c: 41.1767 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4852.88 ± 0.09 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No