Information card for entry 2222588

Structure parameters

• Chemical name: Ethyl 2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate
• Formula: C26 H25 N O6 S
• Calculated formula: C26 H25 N O6 S
• SMILES: S(=O)(=O)(n1c(c(c2c1cccc2)C(=O)OCC)Cc1ccc(OC)c(OC)c1)c1ccccc1
• Title of publication: Ethyl 2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate
• Authors of publication: Gunasekaran, B.; Sureshbabu, Radhakrishnan; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1856
• a: 9.2914 ± 0.0003 Å
• b: 9.3008 ± 0.0003 Å
• c: 14.1561 ± 0.0005 Å
• α: 87.367 ± 0.002°
• β: 76.158 ± 0.002°
• γ: 87.877 ± 0.002°
• Cell volume: 1186.13 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes