Information card for entry 7232363

Structure parameters

• Formula: C21 H14 F5 N3 O4
• Calculated formula: C21 H14 F5 N3 O4
• Title of publication: An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group
• Authors of publication: Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1505
• a: 8.2387 ± 0.0014 Å
• b: 9.1226 ± 0.0015 Å
• c: 15.647 ± 0.003 Å
• α: 78.884 ± 0.002°
• β: 77.335 ± 0.002°
• γ: 63.875 ± 0.002°
• Cell volume: 1023.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No