Information card for entry 2201546

Structure parameters

• Common name: Triphenyl(benzoylmethyl)phosphonium nitrate
• Chemical name: Triphenyl(benzoylmethyl)phosphonium nitrate
• Formula: C26 H22 N O4 P
• Calculated formula: C26 H22 N O4 P
• SMILES: [P+](CC(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-]
• Title of publication: Triphenyl(benzoylmethyl)phosphonium nitrate: a three-dimensional hydrogen-bonded network
• Authors of publication: Baby Mariyatra, Mahimaidoss; Panchanatheswaran, Krishnaswamy; Goeta, Andres E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o807 - o809
• a: 10.7617 ± 0.0005 Å
• b: 19.1957 ± 0.0007 Å
• c: 21.4568 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4432.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No