Information card for entry 7155676

Structure parameters

• Formula: C15 H15 F2 N3 O3
• Calculated formula: C15 H15 F2 N3 O3
• Title of publication: Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles
• Authors of publication: Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.1037 ± 0.0004 Å
• b: 18.2464 ± 0.0008 Å
• c: 9.7398 ± 0.0005 Å
• α: 90°
• β: 105.614 ± 0.002°
• γ: 90°
• Cell volume: 1558.17 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1355
• 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: Yes
• Has Fobs: No