Information card for entry 4022204

Structure parameters

• Formula: C19 H26 N2 O Si
• Calculated formula: C19 H26 N2 O Si
• SMILES: [Si](O[C@]1(C#N)CCC[C@@H](C1)c1c2ccccc2[nH]c1C)(C)(C)C.[Si](O[C@@]1(C#N)CCC[C@H](C1)c1c2ccccc2[nH]c1C)(C)(C)C
• Title of publication: Sequential One-Pot InBr~3~-Catalyzed 1,4- then 1,2-Nucleophilic Addition to Enones
• Authors of publication: Marco Bandini; Pier Giorgio Cozzi; Massimo Giacomini; Paolo Melchiorre; Simona Selva; Achille Umani-Ronchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 3700 - 3704
• a: 10.5209 ± 0.0005 Å
• b: 8.4274 ± 0.0004 Å
• c: 22.1592 ± 0.0011 Å
• α: 90°
• β: 92.433 ± 0.001°
• γ: 90°
• Cell volume: 1962.95 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No