Information card for entry 2202118

Structure parameters

• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• SMILES: Cc1ccccc1C1=C2C(=O)N(C(=C2C(=O)N1C(=O)OC(C)(C)C)c1ccccc1C)C(=O)OC(C)(C)C
• Title of publication: Di-<i>tert</i>-butyl 3,6-bis(2-methylphenyl)-1,4-dioxo-1,2,4,5-tetrahydropyrrolo[3,4-<i>c</i>]pyrrole-2,5-dicarboxylate
• Authors of publication: Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o472 - o473
• a: 7.148 ± 0.001 Å
• b: 14.148 ± 0.003 Å
• c: 13.065 ± 0.002 Å
• α: 90°
• β: 95.729 ± 0.008°
• γ: 90°
• Cell volume: 1314.7 ± 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: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes