Information card for entry 2231910

Structure parameters

• Chemical name: 2-Phenyl-3-(trimethylsilyl)propan-1-aminium chloride
• Formula: C12 H22 Cl N Si
• Calculated formula: C12 H22 Cl N Si
• SMILES: [Cl-].[Si](CC(c1ccccc1)C[NH3+])(C)(C)C
• Title of publication: 2-Phenyl-3-(trimethylsilyl)propan-1-aminium chloride
• Authors of publication: Hijji, Yousef M.; Butcher, Ray J.; Jasinski, Jerry P.; White, Zachary; Rosenberg, Robert C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2553
• a: 12.3716 ± 0.0004 Å
• b: 32.692 ± 0.0008 Å
• c: 7.44256 ± 0.00018 Å
• α: 90°
• β: 93.006 ± 0.002°
• γ: 90°
• Cell volume: 3006.02 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.138
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes