Information card for entry 2227453

Structure parameters

• Chemical name: 4-Phenylsulfonyl-2-(<i>p</i>-tolylsulfonyl)-1<i>H</i>,8<i>H</i>- pyrrolo[2,3-<i>b</i>]indole
• Formula: C23 H18 N2 O4 S2
• Calculated formula: C23 H18 N2 O4 S2
• SMILES: S(=O)(=O)(n1c2c(c3cc(S(=O)(=O)c4ccc(cc4)C)[nH]c13)cccc2)c1ccccc1
• Title of publication: 4-Phenylsulfonyl-2-(<i>p</i>-tolylsulfonyl)-1<i>H</i>,8<i>H</i>-pyrrolo[2,3-<i>b</i>]indole
• Authors of publication: Badenock, Jeanese C.; Jordan, Jason A.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2757 - o2758
• a: 8.1547 ± 0.0003 Å
• b: 11.0471 ± 0.0005 Å
• c: 11.7185 ± 0.0004 Å
• α: 73.834 ± 0.004°
• β: 87.131 ± 0.003°
• γ: 79.277 ± 0.004°
• Cell volume: 996.22 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes