Information card for entry 4036601

Structure parameters

• Formula: C24 H21 F N O5
• Calculated formula: C24 H21 F N O5
• SMILES: O=C(c1ccc(F)cc1)C1=C(N(C(=O)[C@@]21O[C@@H](C=C2)O)CCC)c1ccc(OC)cc1.O=C(c1ccc(F)cc1)C1=C(N(C(=O)[C@]21O[C@H](C=C2)O)CCC)c1ccc(OC)cc1
• Title of publication: Synthesis of Spiro-lactams and Polysubstituted Pyrroles via Ceric Ammonium Nitrate-Mediated Oxidative Cyclization of N-Furan-2-ylmethyl-β-Enaminones.
• Authors of publication: Peng, Hui; Li, Jiuyi; Wang, Furong; Liu, Bo; Yin, Biaolin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 4939 - 4946
• a: 10.593 ± 0.0003 Å
• b: 11.1116 ± 0.0003 Å
• c: 17.5737 ± 0.0005 Å
• α: 90°
• β: 95.862 ± 0.003°
• γ: 90°
• Cell volume: 2057.7 ± 0.1 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 5
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No