Information card for entry 2231025

Structure parameters

• Chemical name: 1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)propyl]-1<i>H</i>- anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Formula: C37 H26 N4 O7
• Calculated formula: C37 H26 N4 O7
• SMILES: O=C1c2c(C(=O)c3ccc4N(C(=O)N(c4c13)CCCN1C(=O)c3ccccc3C1=O)CCCN1C(=O)c3ccccc3C1=O)cccc2
• Title of publication: 1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)propyl]-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Authors of publication: Afrakssou, Zahra; Rodi, Youssef Kandri; Capet, Frédéric; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2137
• a: 8.4278 ± 0.0002 Å
• b: 13.1258 ± 0.0003 Å
• c: 13.7966 ± 0.0003 Å
• α: 94.359 ± 0.001°
• β: 92.472 ± 0.001°
• γ: 105.351 ± 0.001°
• Cell volume: 1464.31 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes