Information card for entry 2227815

Structure parameters

• Chemical name: Triphenyl[(4-phenylbenzoyl)methyl]phosphonium trifluoromethanesulfonate
• Formula: C33 H26 F3 O4 P S
• Calculated formula: C33 H26 F3 O4 P S
• SMILES: [P+](CC(=O)c1ccc(cc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Triphenyl[(4-phenylbenzoyl)methyl]phosphonium trifluoromethanesulfonate
• Authors of publication: Rizzoli, Corrado; Karami, Kazem; Salah, Mina Mohamadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2675 - o2676
• a: 9.0559 ± 0.001 Å
• b: 19.382 ± 0.002 Å
• c: 16.5396 ± 0.0019 Å
• α: 90°
• β: 92.577 ± 0.002°
• γ: 90°
• Cell volume: 2900.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes