Information card for entry 2241945

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Dibenzylpyromellitic diimide
• Chemical name: 2,6-Dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-\ tetraone
• Formula: C24 H16 N2 O4
• Calculated formula: C24 H16 N2 O4
• SMILES: c1ccccc1CN1C(=O)c2c(C1=O)cc1C(=O)N(Cc3ccccc3)C(=O)c1c2
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>'-dibenzylpyromellitic diimide
• Authors of publication: Im, Hansu; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1809 - 1811
• a: 6.15 ± 0.0005 Å
• b: 4.7475 ± 0.0003 Å
• c: 31.002 ± 0.002 Å
• α: 90°
• β: 90.461 ± 0.003°
• γ: 90°
• Cell volume: 905.14 ± 0.11 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: 0.0692
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes