Information card for entry 2203025

Structure parameters

• Chemical name: 3,3-bis(difluoroaminomethyl)oxetane
• Formula: C5 H8 F4 N2 O
• Calculated formula: C5 H8 F4 N2 O
• SMILES: C1C(CN(F)F)(CO1)CN(F)F
• Title of publication: 3,3-Bis(difluoroaminomethyl)oxetane, a promising new energetic material
• Authors of publication: Gilardi, Richard; Evans, Robin N.; Manser, Gerald E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2032 - o2034
• a: 10.3304 ± 0.0013 Å
• b: 10.6065 ± 0.0013 Å
• c: 6.8638 ± 0.0008 Å
• α: 90°
• β: 105.931 ± 0.002°
• γ: 90°
• Cell volume: 723.18 ± 0.15 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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 all reflections: 0.038
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes