Information card for entry 2221003

Structure parameters

• Chemical name: 6-Methoxy-9-phenylsulfonyl-2-(2-thienyl)-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole
• Formula: C25 H17 N O3 S3
• Calculated formula: C25 H17 N O3 S3
• SMILES: c1(ccccc1)S(=O)(=O)n1c2cc3c(cc(c4cccs4)s3)cc2c2cc(ccc12)OC
• Title of publication: 6-Methoxy-9-phenylsulfonyl-2-(2-thienyl)-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole
• Authors of publication: Chakkaravarthi, G.; Marx, A.; Dhayalan, V.; Mohanakrishnan, A. K.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o464 - o465
• a: 15.39 ± 0.0012 Å
• b: 10.1269 ± 0.0007 Å
• c: 28.233 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4400.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes