Information card for entry 2224706

Structure parameters

• Chemical name: Diethyl 2-oxo-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)butanedioate
• Formula: C16 H15 N O6
• Calculated formula: C16 H15 N O6
• SMILES: CCOC(=O)C(=C1/C(=O)Nc2c1cccc2)/C(=O)C(=O)OCC
• Title of publication: Diethyl 2-oxo-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)butanedioate
• Authors of publication: LeninTamikovan, I. K.; SubbiahPandi, A.; Damodiran, M.; Karthikeyan, K.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o37
• a: 8.8277 ± 0.0002 Å
• b: 13.5365 ± 0.0004 Å
• c: 13.63 ± 0.0003 Å
• α: 96.516 ± 0.003°
• β: 102.218 ± 0.002°
• γ: 100.668 ± 0.001°
• Cell volume: 1544.44 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes