Information card for entry 2239449

Structure parameters

• Chemical name: 2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde
• Formula: C25 H15 F N2 O6 S
• Calculated formula: C25 H15 F N2 O6 S
• SMILES: c12ccccc1c1c(cc(c(c1O)C=O)c1ccc(cc1N(=O)=O)F)n2S(=O)(=O)c1ccccc1
• Title of publication: 2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde
• Authors of publication: Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o273 - o274
• a: 8.124 ± 0.005 Å
• b: 14.191 ± 0.005 Å
• c: 18.607 ± 0.005 Å
• α: 90°
• β: 93.82 ± 0.005°
• γ: 90°
• Cell volume: 2140.4 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes