Information card for entry 2003275

Structure parameters

• Chemical name: 2-Fluoro-8,8-Dimethyl-9-Oxa-4,7-Diazabicyclo[4.3.0]Nona-1,6-Dien-3,5-Dione
• Formula: C8 H7 F N2 O3
• Calculated formula: C8 H7 F N2 O3
• SMILES: O=C1NC(=O)C(=C2C1=NC(O2)(C)C)F
• Title of publication: 5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass
• Authors of publication: Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 515 - 517
• a: 25.171 ± 0.003 Å
• b: 5.245 ± 0.001 Å
• c: 15.557 ± 0.002 Å
• α: 90°
• β: 121.92 ± 0.02°
• γ: 90°
• Cell volume: 1743.3 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.027
• Goodness-of-fit parameter for significantly intense reflections: 1.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No