Information card for entry 2231982

Structure parameters

• Chemical name: 2-(4-Hydroxyphenyl)-3-(trimethylsilyl)propanaminium chloride
• Formula: C12 H22 Cl N O Si
• Calculated formula: C12 H22 Cl N O Si
• SMILES: [Cl-].[Si](CC(c1ccc(O)cc1)C[NH3+])(C)(C)C
• Title of publication: 2-(4-Hydroxyphenyl)-3-(trimethylsilyl)propanaminium 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: o2694
• a: 14.2611 ± 0.0004 Å
• b: 6.7587 ± 0.0002 Å
• c: 16.0316 ± 0.0009 Å
• α: 90°
• β: 91.252 ± 0.003°
• γ: 90°
• Cell volume: 1544.86 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes