Information card for entry 2211177

Structure parameters

• Chemical name: Ethyl 3-(2-methoxycarbonylmethyl-1-phenylsulfonyl-1H-indol-3-yl)acrylate
• Formula: C22 H21 N O6 S
• Calculated formula: C22 H21 N O6 S
• SMILES: S(=O)(=O)(n1c(c(c2ccccc12)/C=C/C(=O)OCC)CC(=O)OC)c1ccccc1
• Title of publication: Ethyl 3-(2-methoxycarbonylmethyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)acrylate
• Authors of publication: G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5152 - o5154
• a: 14.7856 ± 0.0004 Å
• b: 9.2479 ± 0.0002 Å
• c: 14.9692 ± 0.0003 Å
• α: 90°
• β: 99.071 ± 0.001°
• γ: 90°
• Cell volume: 2021.23 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.056
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes