Information card for entry 2233579

Structure parameters

• Chemical name: 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1<i>H</i>,5<i>H</i>- pyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione
• Formula: C19 H11 F3 N2 O2
• Calculated formula: C19 H11 F3 N2 O2
• SMILES: [nH]1c(c2C(=O)N(C(=O)c2c1c1ccccc1)c1ccccc1)C(F)(F)F
• Title of publication: 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione
• Authors of publication: Roberts, Sue A.; Martinez-Ariza, Guillermo; Dietrich, Justin; Hulme, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o496 - o497
• a: 10.473 ± 0.0004 Å
• b: 12.2394 ± 0.0005 Å
• c: 13.4379 ± 0.0005 Å
• α: 67.542 ± 0.002°
• β: 82.511 ± 0.002°
• γ: 80.294 ± 0.002°
• Cell volume: 1564.98 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes