Information card for entry 2220684

Structure parameters

• Chemical name: (4-Methoxybenzoylmethyl)triphenylphosphonium trifluoromethanesulfonate
• Formula: C28 H24 F3 O5 P S
• Calculated formula: C28 H24 F3 O5 P S
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)CC(=O)c1ccc(cc1)OC.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: (4-Methoxybenzoylmethyl)triphenylphosphonium trifluoromethanesulfonate
• Authors of publication: Karami, Kazem; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o296
• a: 10.6641 ± 0.0005 Å
• b: 20.276 ± 0.0012 Å
• c: 25.096 ± 0.0011 Å
• α: 90°
• β: 96.539 ± 0.003°
• γ: 90°
• Cell volume: 5391.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1553
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes