Information card for entry 1504522

Structure parameters

• Formula: C21 H35 N O Si
• Calculated formula: C21 H35 N O Si
• SMILES: [Si]([C@@H]1[C@](C(=O)N(CC)CC)([C@H]1c1ccccc1)C)(C(C)(C)C)(C)C.[Si]([C@H]1[C@@](C(=O)N(CC)CC)([C@@H]1c1ccccc1)C)(C(C)(C)C)(C)C
• Title of publication: Stereospecific and stereoselective alkyl and silylcyclopropanation of alpha,beta-unsaturated amides.
• Authors of publication: Concellón, José M; Rodríguez-Solla, Humberto; Méjica, Carmen; Blanco, Elena G.; García-Granda, Santiago; Díaz, M Rosario
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 349 - 352
• a: 16.311 ± 0.001 Å
• b: 10.6441 ± 0.0009 Å
• c: 13.029 ± 0.001 Å
• α: 90°
• β: 103.443 ± 0.007°
• γ: 90°
• Cell volume: 2200.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No