Information card for entry 2004915

Structure parameters

• Chemical name: 2-Benzene-9-hydroxy-4-methyl-2H,4H-pyrrolo-[2,3-b]carbazole-1,3-dione
• Formula: C22 H18 N2 O4
• Calculated formula: C22 H18 N2 O4
• SMILES: C1(=O)N(C(=O)c2c3n(c4ccccc4c3c(cc12)O)C)c1ccccc1.OC
• Title of publication: Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate
• Authors of publication: Schollmeyer, D.; Fischer, G.; Pindur, U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1277 - 1280
• a: 22.028 ± 0.002 Å
• b: 11.698 ± 0.001 Å
• c: 7.0116 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1806.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.1852
• Weighted residual factors for significantly intense reflections: 0.1619
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No