Information card for entry 7129785

Structure parameters

• Formula: C13 H23 B Cl N Si
• Calculated formula: C13 H23 B Cl N Si
• SMILES: ClB(N([Si](C)(C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Electrophilic activation of difunctional aminoboranes: B-N coupling <i>versus</i> intramolecular Cl/Me exchange.
• Authors of publication: Maier, Matthias; Klopf, Jonas; Glasmacher, Clemens; Fantuzzi, Felipe; Bachmann, Jonas; Ayhan, Ozan; Koner, Abhishek; Engels, Bernd; Helten, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 28
• Pages of publication: 4464 - 4467
• a: 8.256 ± 0.004 Å
• b: 11.579 ± 0.006 Å
• c: 16.616 ± 0.008 Å
• α: 90°
• β: 103.076 ± 0.015°
• γ: 90°
• Cell volume: 1547.2 ± 1.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98.42 K
• Number of distinct elements: 6
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No