Information card for entry 2204196

Structure parameters

• Common name: 2-Phenylisophosphindoline-1,3-dione
• Chemical name: 2H-2-Phenylisophosphindoline-1,3-dione
• Formula: C14 H9 O2 P
• Calculated formula: C14 H9 O2 P
• SMILES: P1(C(=O)c2c(C1=O)cccc2)c1ccccc1
• Title of publication: 2-Phenylisophosphindoline-1,3-dione
• Authors of publication: Andreas Decken; Erin D. Gill; Frank Bottomley
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1456 - o1457
• a: 9.4273 ± 0.0015 Å
• b: 14.479 ± 0.002 Å
• c: 9.4762 ± 0.0015 Å
• α: 90°
• β: 117.662 ± 0.002°
• γ: 90°
• Cell volume: 1145.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes