Information card for entry 2221836

Structure parameters

• Chemical name: 2-(4-Methylphenyl)-1<i>H</i>-anthraceno[1,2-<i>d</i>]imidazole-6,11-dione
• Formula: C22 H14 N2 O2
• Calculated formula: C22 H14 N2 O2
• SMILES: O=C1c2c(C(=O)c3ccc4nc([nH]c4c13)c1ccc(cc1)C)cccc2
• Title of publication: 2-(4-Methylphenyl)-1<i>H</i>-anthraceno[1,2-<i>d</i>]imidazole-6,11-dione: a fluorescent chemosensor
• Authors of publication: Guimarães, Tiago T.; Da Silva Júnior, Eufrânio N.; Carvalho, Carlos Eduardo M.; De Simone, Carlos A.; Pinto, Antonio V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1063
• a: 7.385 ± 0.001 Å
• b: 14.073 ± 0.0004 Å
• c: 30.563 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3176.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes