Information card for entry 2231016

Structure parameters

• Chemical name: Diethyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate
• Formula: C23 H20 N2 O7
• Calculated formula: C23 H20 N2 O7
• SMILES: c12ccccc1C(=O)c1c(C2=O)c2c(cc1)N(C(=O)N2CC(=O)OCC)CC(=O)OCC
• Title of publication: Diethyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate
• 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: 8
• Pages of publication: o2081
• a: 17.462 ± 0.001 Å
• b: 13.0646 ± 0.0009 Å
• c: 9.1411 ± 0.0006 Å
• α: 90°
• β: 103.915 ± 0.003°
• γ: 90°
• Cell volume: 2024.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes