Information card for entry 1556168

Structure parameters

• Formula: C21 H30 N2 O Si
• Calculated formula: C21 H30 N2 O Si
• SMILES: N1=NC[C@@H]2C[C@@H]3CCCCC(=C\c4ccccc4)/[C@]3([C@H]12)O[Si](C)(C)C.N1=NC[C@H]2C[C@H]3CCCCC(=C\c4ccccc4)/[C@@]3([C@@H]12)O[Si](C)(C)C
• Title of publication: Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.
• Authors of publication: Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2974 - 2977
• a: 8.4425 ± 0.0008 Å
• b: 13.9418 ± 0.0013 Å
• c: 17.4523 ± 0.0016 Å
• α: 90°
• β: 91.014 ± 0.002°
• γ: 90°
• Cell volume: 2053.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No