Information card for entry 2241080

Structure parameters

• Chemical name: Ethyl 2-phenyl-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carboxylate
• Formula: C27 H21 N O4 S
• Calculated formula: C27 H21 N O4 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c2ccccc2c2cc(c(cc12)c1ccccc1)C(=O)OCC
• Title of publication: Crystal structure of ethyl 2-phenyl-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carboxylate
• Authors of publication: Umadevi, M.; Raju, P.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o725 - o726
• a: 13.7655 ± 0.0008 Å
• b: 7.8207 ± 0.0004 Å
• c: 20.95 ± 0.0012 Å
• α: 90°
• β: 94.054 ± 0.002°
• γ: 90°
• Cell volume: 2249.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1076
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes