Information card for entry 2217837

Structure parameters

• Chemical name: 1-Phenyl-4-(triphenylphosphanylidene)pyrrolidine-2,3,5-trione
• Formula: C28 H20 N O3 P
• Calculated formula: C28 H20 N O3 P
• SMILES: C1(=O)C(=O)C(C(=O)N1c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 1-Phenyl-4-(triphenylphosphanylidene)pyrrolidine-2,3,5-trione
• Authors of publication: Fan, Da-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o570
• a: 18.171 ± 0.004 Å
• b: 12.553 ± 0.003 Å
• c: 19.982 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4557.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes