Information card for entry 2230233

Structure parameters

• Common name: Ethyl 3-[2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]acrylate chloroform hemisolvate
• Chemical name: Ethyl 3-[2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]prop-2-enoate chloroform hemisolvate
• Formula: C28.5 H27.5 Cl1.5 N O6 S
• Calculated formula: C28.5 H27.5 Cl1.5 N O6 S
• Title of publication: Ethyl 3-[2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]acrylate chloroform hemisolvate
• Authors of publication: Thenmozhi, M.; Kavitha, T.; Dhayalan, V.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1460 - o1461
• a: 10.2154 ± 0.0003 Å
• b: 12.0504 ± 0.0004 Å
• c: 12.631 ± 0.0004 Å
• α: 70.602 ± 0.002°
• β: 69.613 ± 0.001°
• γ: 77.056 ± 0.002°
• Cell volume: 1364.39 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes