Information card for entry 2217634

Structure parameters

• Chemical name: Ethyl 2-[(phenylsulfanyl)methyl]-1-(phenylsulfonyl)-1<i>H</i>-indole- 3-carboxylate
• Formula: C24 H21 N O4 S2
• Calculated formula: C24 H21 N O4 S2
• SMILES: S(=O)(=O)(n1c(CSc2ccccc2)c(c2ccccc12)C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 2-[(phenylsulfanyl)methyl]-1-(phenylsulfonyl)-1<i>H</i>-indole-3-carboxylate
• Authors of publication: G. Chakkaravarthi; V. Dhayalan; A. K. Mohanakrishnan; V. Manivannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o392 - o392
• a: 11.745 ± 0.001 Å
• b: 7.714 ± 0.0002 Å
• c: 26.77 ± 0.001 Å
• α: 90°
• β: 116.02 ± 0.002°
• γ: 90°
• Cell volume: 2179.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes