Information card for entry 4116000

Structure parameters

• Chemical name: O-Trifluorosilyl-N,N-dimethylhydroxylamine
• Formula: C2 H6 F3 N O Si
• Calculated formula: C2 H6 F3 N O Si
• SMILES: [Si](F)(F)(F)ON(C)C
• Title of publication: (N,N-Dimethylaminoxy)trifluorosilane: Strong, Dipole Moment Driven Changes in the Molecular Geometry Studied by Experiment and Theory in Solid, Gas, and Solution Phases
• Authors of publication: Norbert W. Mitzel; Udo Losehand; Anan Wu; Dieter Cremer; David W. H. Rankin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 4471 - 4482
• a: 5.8709 ± 0.0008 Å
• b: 9.8771 ± 0.0008 Å
• c: 10.491 ± 0.003 Å
• α: 90°
• β: 104.408 ± 0.007°
• γ: 90°
• Cell volume: 589.21 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1382
• 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: No
• Has Fobs: No