Information card for entry 4304949

Structure parameters

• Formula: C18 H23 F O Se
• Calculated formula: C18 H23 F O Se
• SMILES: [Se](=O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.F
• Title of publication: Studies on the Properties of Organoselenium(IV) Fluorides and Azides
• Authors of publication: Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4712 - 4722
• a: 24.185 ± 0.005 Å
• b: 7.722 ± 0.005 Å
• c: 17.391 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3248 ± 2 ų
• Cell temperature: 100 ± 3 K
• Ambient diffraction temperature: 100 ± 3 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No