Information card for entry 4110036

Structure parameters

• Formula: C25 H42 N2 O5 Si
• Calculated formula: C25 H42 N2 O5 Si
• SMILES: [Si](O)([C@H]1[C@H]([C@H](OC(=O)Nc2ccc(N(=O)=O)cc2)C[C@H](C1)C(C)C)C)(C(C)(C)C)C(C)(C)C.[Si](O)([C@@H]1[C@@H]([C@@H](OC(=O)Nc2ccc(N(=O)=O)cc2)C[C@@H](C1)C(C)C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Metal-Catalyzed Silylene Insertions of Allylic Ethers: Stereoselective Formation of Chiral Allylic Silanes
• Authors of publication: Laura E. Bourque; Pamela A. Cleary; K. A. Woerpel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12602 - 12603
• a: 10.4889 ± 0.001 Å
• b: 14.5745 ± 0.0013 Å
• c: 17.6357 ± 0.0016 Å
• α: 90°
• β: 90.986 ± 0.002°
• γ: 90°
• Cell volume: 2695.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No