Information card for entry 2012713

Structure parameters

• Chemical name: Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol- 3-yl}acrylate
• Formula: C28 H27 N3 O4 S
• Calculated formula: C28 H27 N3 O4 S
• SMILES: S(=O)(=O)(n1c(c(c2c1cccc2)/C=C/C(=O)OCC)/C=N/c1ccc(N(C)C)cc1)c1ccccc1
• Title of publication: Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol-3-yl}acrylate
• Authors of publication: Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o277 - o279
• a: 15.0582 ± 0.0003 Å
• b: 11.3915 ± 0.0003 Å
• c: 15.8945 ± 0.0003 Å
• α: 90°
• β: 109.595 ± 0.001°
• γ: 90°
• Cell volume: 2568.57 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.163
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes