Information card for entry 2241083

Structure parameters

• Chemical name: Benzyl(methyl)phenyl[(piperidin-1-ium-1-yl)methyl]silane bromide
• Formula: C20 H28 Br N Si
• Calculated formula: C20 H28 Br N Si
• SMILES: [Si](C)(Cc1ccccc1)(c1ccccc1)C[NH+]1CCCCC1.[Br-]
• Title of publication: Crystal structure of benzyl(methyl)phenyl[(piperidin-1-ium-1-yl)methyl]silane bromide
• Authors of publication: Barth, Eva Rebecca; Golz, Christopher; Koller, Stephan G.; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o759
• a: 13.9311 ± 0.0012 Å
• b: 7.4605 ± 0.0006 Å
• c: 19.3515 ± 0.0017 Å
• α: 90°
• β: 100.926 ± 0.002°
• γ: 90°
• Cell volume: 1974.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes