Information card for entry 1553081

Structure parameters

• Formula: C33 H44 Li N O3 Si
• Calculated formula: C33 H44 Li N O3 Si
• SMILES: C1(N([Si](C)(C)c2ccccc12)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(c1ccccc1)c1ccccc1
• Title of publication: A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides
• Authors of publication: Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4831
• a: 18.7063 ± 0.0012 Å
• b: 11.4184 ± 0.0007 Å
• c: 13.9803 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2986.1 ± 0.3 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No