Information card for entry 4132123

Structure parameters

• Formula: C18 H23 N3 O2 Si
• Calculated formula: C18 H23 N3 O2 Si
• SMILES: [Si](C1=CC=C[C@H]([C@@H]1N1NC(=O)N(C1=O)C)c1ccccc1)(C)(C)C.[Si](C1=CC=C[C@@H]([C@H]1N1NC(=O)N(C1=O)C)c1ccccc1)(C)(C)C
• Title of publication: Nickel-Catalyzed Dearomative trans-1,2-Carboamination.
• Authors of publication: Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 13
• Pages of publication: 4503 - 4507
• a: 11.5544 ± 0.0018 Å
• b: 6.1514 ± 0.0009 Å
• c: 25.784 ± 0.004 Å
• α: 90°
• β: 93.021 ± 0.008°
• γ: 90°
• Cell volume: 1830.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 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: 0.0616
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No