Information card for entry 2237175

Structure parameters

• Chemical name: (Furfurylamino)triphenylphosphonium bromide
• Formula: C23 H21 Br N O P
• Calculated formula: C23 H21 Br N O P
• SMILES: [Br-].c1ccc(CN[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1
• Title of publication: (Furfurylamino)triphenylphosphonium bromide
• Authors of publication: Martínez de León, Carla; Tlahuext, Hugo; Flores-Parra, Angelina; Duarte-Hernández, Angélica María; Grévy, Jean-Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o118
• a: 9.519 ± 0.0019 Å
• b: 9.812 ± 0.002 Å
• c: 12.726 ± 0.003 Å
• α: 110.3 ± 0.03°
• β: 104.89 ± 0.03°
• γ: 96.81 ± 0.03°
• Cell volume: 1048.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes