Information card for entry 4032502

Structure parameters

• Formula: C10 H10 F N O4
• Calculated formula: C10 H10 F N O4
• Title of publication: Radical Nitration-Debromination of α-Bromo-α-fluoroalkenes as a Stereoselective Route to Aromatic α-Fluoronitroalkenes-Functionalized Fluorinated Building Blocks for Organic Synthesis.
• Authors of publication: Motornov, Vladimir A.; Muzalevskiy, Vasiliy M.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 13.8582 ± 0.0014 Å
• b: 8.4793 ± 0.0008 Å
• c: 17.1636 ± 0.0017 Å
• α: 90°
• β: 94.026 ± 0.002°
• γ: 90°
• Cell volume: 2011.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No