Information card for entry 1503170

Structure parameters

• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: O=C1N(C(=CC1(OC)c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement.
• Authors of publication: Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 3918 - 3921
• a: 8.5467 ± 0.0017 Å
• b: 10.49 ± 0.002 Å
• c: 21.228 ± 0.004 Å
• α: 90°
• β: 101.57 ± 0.03°
• γ: 90°
• Cell volume: 1864.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No