Information card for entry 4029849

Structure parameters

• Formula: C24 H44 O3 Si
• Calculated formula: C24 H44 O3 Si
• SMILES: [Si](O[C@H]1C[C@@H]2[C@]3(CC[C@H](O)C(C)(C)[C@@H]3CC(=O)[C@H]2[C@H](C1)C)C)(C)(C)C(C)(C)C
• Title of publication: Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.
• Authors of publication: Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 7979 - 7999
• a: 14.8863 ± 0.0002 Å
• b: 25.4284 ± 0.0004 Å
• c: 6.6202 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2505.98 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No