Information card for entry 2230779

Structure parameters

• Chemical name: Benzyltriphenylphosphonium perchlorate
• Formula: C25 H22 Cl O4 P
• Calculated formula: C25 H22 Cl O4 P
• SMILES: Cl(=O)(=O)(=O)[O-].[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Benzyltriphenylphosphonium perchlorate
• Authors of publication: Li, Liwei; He, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1635
• a: 10.096 ± 0.001 Å
• b: 13.8967 ± 0.0013 Å
• c: 18.2577 ± 0.0017 Å
• α: 69.765 ± 0.002°
• β: 84.826 ± 0.002°
• γ: 73.195 ± 0.002°
• Cell volume: 2300.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes