Information card for entry 4037540

Structure parameters

• Formula: C27 H23 F3 N2 O3
• Calculated formula: C27 H23 F3 N2 O3
• SMILES: FC(F)(F)[C@H]1N(O[C@]2(c3cc(cc(c3NC2=O)C)C)[C@@H]1C(=O)c1ccc(cc1)C)c1ccccc1.FC(F)(F)[C@@H]1N(O[C@@]2(c3cc(cc(c3NC2=O)C)C)[C@H]1C(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.
• Authors of publication: Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14811 - 14819
• a: 9.3196 ± 0.0014 Å
• b: 25.211 ± 0.003 Å
• c: 10.6153 ± 0.0013 Å
• α: 90°
• β: 108.592 ± 0.015°
• γ: 90°
• Cell volume: 2364 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2677
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.3931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No