Information card for entry 2241922

Structure parameters

• Chemical name: 12-Phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole
• Formula: C30 H19 N O3 S
• Calculated formula: C30 H19 N O3 S
• SMILES: c1cccc2c1c1c(cc3c(c1c1ccccc1)c1c(cccc1)o3)n2S(=O)(=O)c1ccccc1
• Title of publication: Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (3)
• Authors of publication: Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1744 - 1750
• a: 10.6461 ± 0.001 Å
• b: 11.8994 ± 0.0011 Å
• c: 18.2418 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No