Information card for entry 2230365

Structure parameters

• Chemical name: 3-Allyl-1-{[3-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-1<i>H</i>- anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Formula: C28 H20 N4 O6
• Calculated formula: C28 H20 N4 O6
• SMILES: C1(=O)N(c2c(ccc3c2C(=O)c2c(C3=O)cccc2)N1CC=C)CC1CC(c2ccc(cc2)N(=O)=O)=NO1
• Title of publication: 3-Allyl-1-{[3-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Authors of publication: Afrakssou, Zahra; Haoudi, Amal; Capet, Frédéric; Rolando, Christian; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1363 - o1364
• a: 10.078 ± 0.0003 Å
• b: 22.7094 ± 0.0006 Å
• c: 11.2729 ± 0.0003 Å
• α: 90°
• β: 113.809 ± 0.001°
• γ: 90°
• Cell volume: 2360.41 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes