Information card for entry 2241920

Structure parameters

• Chemical name: 12-Ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-b]carbazole
• Formula: C26 H19 N O3 S
• Calculated formula: C26 H19 N O3 S
• SMILES: c1cccc2c1c1c(cc3c(c1CC)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: 8.3037 ± 0.0002 Å
• b: 14.3468 ± 0.0003 Å
• c: 18.4068 ± 0.0005 Å
• α: 70.594 ± 0.001°
• β: 78.139 ± 0.001°
• γ: 85.356 ± 0.001°
• Cell volume: 2023.9 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No