Information card for entry 2230941

Structure parameters

• Chemical name: (Isopropylamino)(methyl)diphenylphosphonium iodide
• Formula: C16 H21 I N P
• Calculated formula: C16 H21 I N P
• SMILES: C(C)(C)N[P+](c1ccccc1)(c1ccccc1)C.[I-]
• Title of publication: (Isopropylamino)(methyl)diphenylphosphonium iodide
• Authors of publication: Peulecke, Normen; Peitz, Stephan; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1741
• a: 9.0283 ± 0.0002 Å
• b: 20.281 ± 0.0006 Å
• c: 9.2298 ± 0.0003 Å
• α: 90°
• β: 93.492 ± 0.002°
• γ: 90°
• Cell volume: 1686.87 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.023
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes