Information card for entry 2205538

Structure parameters

• Chemical name: tert-Butyl 1,4-dioxo-3,6-diphenyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxylate
• Formula: C23 H20 N2 O4
• Calculated formula: C23 H20 N2 O4
• SMILES: O=C1NC(=C2C1=C(N(C2=O)C(=O)OC(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: <i>tert</i>-Butyl 1,4-dioxo-3,6-diphenyl-1,2,4,5-tetrahydropyrrolo[3,4-<i>c</i>]pyrrole-2-carboxylate
• Authors of publication: Imura, Yasuo; Senju, Takatoshi; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o816 - o818
• a: 6.0502 ± 0.0006 Å
• b: 16.524 ± 0.002 Å
• c: 19.031 ± 0.002 Å
• α: 90°
• β: 95.744 ± 0.007°
• γ: 90°
• Cell volume: 1893 ± 0.4 ų
• Cell temperature: 93.2 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 significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes