Information card for entry 4121883

Structure parameters

• Formula: C31 H44 O Si
• Calculated formula: C31 H44 O Si
• SMILES: [Si](O[C@H]1C(=C)[C@@H]2CC[C@]3(c4ccc5ccccc5c4CC[C@@H]3[C@]2(CC1)C)C)(C)(C)C(C)(C)C
• Title of publication: A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade
• Authors of publication: Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 25
• Pages of publication: 9724 - 9726
• a: 7.4228 ± 0.0013 Å
• b: 17.014 ± 0.003 Å
• c: 22.026 ± 0.004 Å
• α: 90°
• β: 96.464 ± 0.003°
• γ: 90°
• Cell volume: 2764 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4106333
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No