Information card for entry 2226386

Structure parameters

• Chemical name: 1,3-Diallyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Formula: C21 H16 N2 O3
• Calculated formula: C21 H16 N2 O3
• SMILES: O=C1c2c3N(C(=O)N(c3ccc2C(=O)c2c1cccc2)CC=C)CC=C
• Title of publication: 1,3-Diallyl-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; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1851
• a: 7.8539 ± 0.0002 Å
• b: 11.5822 ± 0.0003 Å
• c: 18.1455 ± 0.0004 Å
• α: 90°
• β: 93.537 ± 0.001°
• γ: 90°
• Cell volume: 1647.47 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes