Information card for entry 4126104

Structure parameters

• Formula: C31 H50 O7 Si2
• Calculated formula: C31 H50 O7 Si2
• Title of publication: A Concise, Efficient and Scalable Total Synthesis of Thapsigargin and Nortrilobolide from (R)-(-)-Carvone.
• Authors of publication: Chen, Dezhi; Evans, P. Andrew
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6046 - 6049
• a: 10.161 ± 0.002 Å
• b: 11.489 ± 0.002 Å
• c: 30.374 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3545.9 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No