Information card for entry 7204515

Structure parameters

• Common name: (E)-1-Fluoro-2-phenylseleno-cycloundecene
• Chemical name: (E)-1-Fluoro-2-phenylseleno-cycloundecene
• Formula: C17 H23 F Se
• Calculated formula: C17 H23 F Se
• SMILES: [Se](c1ccccc1)/C1=C(/F)CCCCCCCCC1
• Title of publication: PhSeOTf???Et3N??3HF and PhSeSbF6???Et3N??3HF as new PhSe???F equivalents in the fluoroselenenylation of acetylenes
• Authors of publication: Poleschner, Helmut; Seppelt, Konrad
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2668
• a: 7.0991 ± 0.0015 Å
• b: 6.3581 ± 0.0014 Å
• c: 16.766 ± 0.003 Å
• α: 90°
• β: 90.415 ± 0.005°
• γ: 90°
• Cell volume: 756.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No