Information card for entry 2004623

Structure parameters

• Formula: C16 H22 F N3 O7 Se
• Calculated formula: C16 H22 F N3 O7 Se
• SMILES: [Se+](/C(=C(F)\CCC)CCC)(C)C.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: The First Structure of a Vicinal (<i>E</i>)-Fluoroselenoolefin: (<i>E</i>)-(5-Fluoro-4-octen-4-yl)dimethylselenonium Picrate
• Authors of publication: Poleschner, H.; Schilde, U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 644 - 647
• a: 8.236 ± 0.001 Å
• b: 11.26 ± 0.003 Å
• c: 11.608 ± 0.003 Å
• α: 90.3 ± 0.02°
• β: 101.98 ± 0.01°
• γ: 110.44 ± 0.02°
• Cell volume: 983.2 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.0762
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No