Information card for entry 2203097

Structure parameters

• Common name: Triphenylphenacylphosphonium picrate
• Chemical name: (benzoylmethyl)triphenylphosphonium 2,4,6-trinitrophenolate
• Formula: C32 H24 N3 O8 P
• Calculated formula: C32 H24 N3 O8 P
• SMILES: [P+](CC(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Phenacyltriphenylphosphonium picrate: intra-and interionic C—H···O interactions
• Authors of publication: Mahimaidoss Baby Mariyatra; Elinor C. Spencer; Krishanaswamy Panchanatheswaran; Judith A. K. Howard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o123 - o125
• a: 7.5305 ± 0.001 Å
• b: 25.241 ± 0.003 Å
• c: 14.49 ± 0.002 Å
• α: 90°
• β: 98.639 ± 0.003°
• γ: 90°
• Cell volume: 2723 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes