Information card for entry 4134755

Structure parameters

• Formula: C53 H86 Br2 O6 Si3
• Calculated formula: C53 H86 Br2 O6 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: 11.6286 ± 0.0003 Å
• b: 15.8231 ± 0.0004 Å
• c: 17.4203 ± 0.0005 Å
• α: 73.227 ± 0.002°
• β: 81.077 ± 0.002°
• γ: 71.98 ± 0.002°
• Cell volume: 2910.8 ± 0.14 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No