Information card for entry 2232946

Structure parameters

• Chemical name: Isopropyltriphenylphosphonium bromide monohydrate
• Formula: C21 H24 Br O P
• Calculated formula: C21 H24 Br O P
• Title of publication: Isopropyltriphenylphosphonium bromide monohydrate
• Authors of publication: Wang, Hai; Zhang, Xi-Man; Li, Ping; Chen, Hong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3149
• a: 9.078 ± 0.005 Å
• b: 13.043 ± 0.005 Å
• c: 17.755 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2102.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes