Information card for entry 2225797

Structure parameters

• Chemical name: 8,9-Dimethoxy-5-phenylsulfonyl-5<i>H</i>-benzo[<i>b</i>]carbazole
• Formula: C24 H19 N O4 S
• Calculated formula: C24 H19 N O4 S
• SMILES: COc1cc2cc3c(cc2cc1OC)c1c(n3S(=O)(=O)c2ccccc2)cccc1
• Title of publication: 8,9-Dimethoxy-5-phenylsulfonyl-5<i>H</i>-benzo[<i>b</i>]carbazole
• Authors of publication: Kavitha, T.; Thenmozhi, M.; Dhayalan, V.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1071
• a: 7.8606 ± 0.0002 Å
• b: 9.5892 ± 0.0002 Å
• c: 13.8846 ± 0.0004 Å
• α: 100.387 ± 0.001°
• β: 93.168 ± 0.002°
• γ: 105.883 ± 0.001°
• Cell volume: 984.05 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes