Information card for entry 2229968

Structure parameters

• Chemical name: 1,3-Dibenzyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Formula: C29 H20 N2 O3
• Calculated formula: C29 H20 N2 O3
• SMILES: C1(=O)N(c2c(ccc3c2C(=O)c2c(C3=O)cccc2)N1Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,3-Dibenzyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Authors of publication: Afrakssou, Zahra; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1253 - o1254
• a: 8.1389 ± 0.0003 Å
• b: 12.8748 ± 0.0004 Å
• c: 21.5528 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2258.45 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes