Information card for entry 4304947

Structure parameters

• Formula: C18 H22 F2 Se
• Calculated formula: C18 H22 F2 Se
• SMILES: [Se](F)(F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 28.8 ± 0.0006 Å
• b: 15.5706 ± 0.0003 Å
• c: 14.1461 ± 0.0003 Å
• α: 90°
• β: 97.228 ± 0.002°
• γ: 90°
• Cell volume: 6293.2 ± 0.2 ų
• Cell temperature: 100 ± 3 K
• Ambient diffraction temperature: 100 ± 3 K
• Number of distinct elements: 4
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No