Information card for entry 2212379

Structure parameters

• Chemical name: 4-Ethyl-8-methyl-6-phenyl-1-(phenylsulfonyl)- 1H,6H-pyrrolo[3,4-f]indole-5,7(1H,6H)-dione
• Formula: C25 H20 N2 O4 S
• Calculated formula: C25 H20 N2 O4 S
• SMILES: S(=O)(=O)(n1ccc2c(c3C(=O)N(C(=O)c3c(c12)C)c1ccccc1)CC)c1ccccc1
• Title of publication: 4-Ethyl-8-methyl-6-phenyl-1-(phenylsulfonyl)-1<i>H</i>,6<i>H</i>-pyrrolo[3,4-<i>f</i>]indole-5,7(1<i>H</i>,6<i>H</i>)-dione
• Authors of publication: Moskalev, Nikolai V.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o673 - o674
• a: 19.751 ± 0.004 Å
• b: 12.534 ± 0.005 Å
• c: 17.747 ± 0.004 Å
• α: 90°
• β: 105.82 ± 0.017°
• γ: 90°
• Cell volume: 4227 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.266
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes