Information card for entry 2237897

Structure parameters

• Chemical name: 1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-dihydroisoxazol-5-yl]methyl}-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Formula: C27 H20 N4 O4
• Calculated formula: C27 H20 N4 O4
• SMILES: C=CCN1C(=O)N(c2c1c1c(cc2)C(=O)c2c(C1=O)cccc2)CC1ON=C(C1)c1ccncc1
• Title of publication: 1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-dihydroisoxazol-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; Kandri Rodia, Youssef; Capet, Frédéric; Essassi, El Mokhtar; Rolando, Christian; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o945 - o946
• a: 8.093 ± 0.0002 Å
• b: 12.1191 ± 0.0003 Å
• c: 12.2743 ± 0.0002 Å
• α: 87.109 ± 0.001°
• β: 73.612 ± 0.001°
• γ: 72.283 ± 0.001°
• Cell volume: 1099.35 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes