Information card for entry 2203213

Structure parameters

• Common name: Triphenylphenacylphosphonium hydrogenmaleate
• Chemical name: Benzoylmethyltriphenylphosphonium hydrogenmaleate
• Formula: C30 H25 O5 P
• Calculated formula: C30 H25 O5 P
• SMILES: [P+](CC(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(/C=C/C(=O)[O-])O
• Title of publication: Benzoylmethyltriphenylphosphonium hydrogen maleate: supramolecular layer formation due to 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: 2
• Pages of publication: o162 - o164
• a: 10.5582 ± 0.0005 Å
• b: 19.5961 ± 0.0008 Å
• c: 24.003 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4966.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1061
• 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