Information card for entry 7129308

Structure parameters

• Formula: C18 H29 B Cl N
• Calculated formula: C18 H29 B Cl N
• SMILES: ClB(N1C(CCCC1(C)C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: [Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes
• Authors of publication: Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 11.2578 ± 0.0014 Å
• b: 13.1467 ± 0.0015 Å
• c: 12.4351 ± 0.0015 Å
• α: 90°
• β: 106.814 ± 0.012°
• γ: 90°
• Cell volume: 1761.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No