Information card for entry 4112934

Structure parameters

• Formula: C25 H37 N O3 S Si
• Calculated formula: C25 H37 N O3 S Si
• SMILES: S(=O)(=O)(c1ccc(C)cc1)N1CC2=CCC(=C[C@@H]3[C@@H]([C@@H]2C1)CO[Si]3(C(C)C)C(C)C)C.S(=O)(=O)(c1ccc(C)cc1)N1CC2=CCC(=C[C@H]3[C@H]([C@H]2C1)CO[Si]3(C(C)C)C(C)C)C
• Title of publication: Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes
• Authors of publication: P. Andrew Evans; Erich W. Baum
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11150 - 11151
• a: 19.1175 ± 0.0017 Å
• b: 8.4638 ± 0.0007 Å
• c: 17.2327 ± 0.0015 Å
• α: 90°
• β: 116.296 ± 0.002°
• γ: 90°
• Cell volume: 2499.8 ± 0.4 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No