Information card for entry 2239249

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-2-[(2-formyl-3-methyl-1<i>H</i>-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate
• Formula: C22 H21 N O4
• Calculated formula: C22 H21 N O4
• SMILES: COC(=O)C(=C/c1ccc(cc1)OC)/Cn1c2ccccc2c(c1C=O)C
• Title of publication: Methyl (2<i>Z</i>)-2-[(2-formyl-3-methyl-1<i>H</i>-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o431 - o432
• a: 12.6009 ± 0.0013 Å
• b: 10.7458 ± 0.0011 Å
• c: 14.8937 ± 0.0016 Å
• α: 90°
• β: 111.954 ± 0.002°
• γ: 90°
• Cell volume: 1870.5 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes