Information card for entry 2241930

Structure parameters

• Chemical name: 12-(4-Nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole
• Formula: C30 H18 N2 O5 S
• Calculated formula: C30 H18 N2 O5 S
• Title of publication: Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole
• Authors of publication: Swaminathan, K.; 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: 1739 - 1743
• a: 12.1347 ± 0.0005 Å
• b: 12.0708 ± 0.0005 Å
• c: 17.6391 ± 0.0007 Å
• α: 90°
• β: 108.617 ± 0.002°
• γ: 90°
• Cell volume: 2448.5 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes