Information card for entry 4134756

Structure parameters

• Formula: C36 H66 O3 Si3
• Calculated formula: C36 H66 O3 Si3
• Title of publication: Asymmetric Total Synthesis of (-)-Spirochensilide A.
• Authors of publication: Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 19.3242 ± 0.0013 Å
• b: 20.652 ± 0.0016 Å
• c: 19.7232 ± 0.0018 Å
• α: 90°
• β: 97.318 ± 0.008°
• γ: 90°
• Cell volume: 7807.1 ± 1.1 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No