Information card for entry 1505557

Structure parameters

• Formula: C17 H13 N O4
• Calculated formula: C17 H13 N O4
• SMILES: C(=O)(C1=C(c2ccccc2C1=O)O)Nc1ccc(cc1)OC
• Title of publication: Isomeric solid enols on ring- and amide-carbonyls of substituted 2-carbanilido-1,3-indandiones.
• Authors of publication: Song, Jinhua; Mishima, Masaaki; Rappoport, Zvi
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 4307 - 4310
• a: 21.8166 ± 0.0015 Å
• b: 9.6838 ± 0.0007 Å
• c: 13.0549 ± 0.0009 Å
• α: 90°
• β: 100.884 ± 0.001°
• γ: 90°
• Cell volume: 2708.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No