Information card for entry 1558378

Structure parameters

• Formula: C36 H47 O3 Si
• Calculated formula: C36 H47 O3 Si
• SMILES: [Si](O[C@@H]1[C@H]([C@@H]2C=C(C[C@@H]3[C@@H](C=C(C3=O)C)[C@@]2(O)[C@@H](C1)C)C)C(=C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Total Synthesis of Crotophorbolone
• Authors of publication: Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 10.7809 ± 0.0007 Å
• b: 12.9537 ± 0.001 Å
• c: 23.2649 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3249 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0929
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No