Information card for entry 7213132

Structure parameters

• Formula: C12 H22 B N Si
• Calculated formula: C12 H22 B N Si
• SMILES: [C@@H]1([N]([BH3])(C)Cc2ccccc12)[Si](C)(C)C
• Title of publication: The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex
• Authors of publication: Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 2439
• a: 9.877 ± 0.004 Å
• b: 10.076 ± 0.005 Å
• c: 13.669 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1360.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No