Information card for entry 4023407

Structure parameters

• Formula: C22 H28 O Si
• Calculated formula: C22 H28 O Si
• SMILES: [Si]([C@H]1[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1)(C)(C)C(C)(C)C.[Si]([C@@H]1[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: CrCl~2~-Promoted Stereospecific and Stereoselective Alkyl- and Silylcyclopropanation of α,β-Unsaturated Amides
• Authors of publication: José M. Concellón; Humberto Rodríguez-Solla; Carmen Méjica; Elena G. Blanco; Santiago García-Granda; M. Rosario Díaz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3828 - 3836
• a: 14.5059 ± 0.0003 Å
• b: 6.1744 ± 0.0001 Å
• c: 22.7859 ± 0.0004 Å
• α: 90°
• β: 92 ± 0.002°
• γ: 90°
• Cell volume: 2039.58 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No