Information card for entry 2221955

Structure parameters

• Chemical name: Diethyl 2-[(5-methoxy-2-methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methylene]malonate
• Formula: C24 H25 N O7 S
• Calculated formula: C24 H25 N O7 S
• SMILES: CCOC(=O)C(=Cc1c2cc(OC)ccc2n(c1C)S(=O)(=O)c1ccccc1)C(=O)OCC
• Title of publication: Diethyl 2-[(5-methoxy-2-methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methylene]malonate
• Authors of publication: Kavitha, T.; Thenmozhi, M.; Dhayalan, V.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1418 - o1419
• a: 8.7597 ± 0.0002 Å
• b: 10.9029 ± 0.0002 Å
• c: 12.5186 ± 0.0003 Å
• α: 88.402 ± 0.001°
• β: 79.723 ± 0.001°
• γ: 83.635 ± 0.002°
• Cell volume: 1169.13 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes