Information card for entry 2229052

Structure parameters

• Chemical name: Ethyl 1-benzenesulfonyl-2-[(<i>E</i>)-2-(2-methylphenyl)ethenyl]indole-3-carboxylate
• Formula: C26 H23 N O4 S
• Calculated formula: C26 H23 N O4 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)C(=O)OCC)/C=C/c1c(cccc1)C
• Title of publication: Ethyl 1-benzenesulfonyl-2-[(<i>E</i>)-2-(2-methylphenyl)ethenyl]indole-3-carboxylate
• Authors of publication: Ramathilagam, C.; Saravanan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Umarani, P. R.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o448
• a: 10.4248 ± 0.0004 Å
• b: 8.3629 ± 0.0003 Å
• c: 25.2284 ± 0.0011 Å
• α: 90°
• β: 92.902 ± 0.001°
• γ: 90°
• Cell volume: 2196.63 ± 0.15 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: 0.063
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes