Information card for entry 7035967

Structure parameters

• Chemical name: iPr2P(Se)(CF=CF(CF3))
• Formula: C9 H14 F5 P Se
• Calculated formula: C9 H14 F5 P Se
• SMILES: C(=C(C(F)(F)F)\F)(\F)P(C(C)C)(C(C)C)=[Se]
• Title of publication: Perfluoropropenyl-containing phosphines from HFC replacements.
• Authors of publication: Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19717 - 19731
• a: 6.969 ± 0.0007 Å
• b: 7.729 ± 0.0007 Å
• c: 12.473 ± 0.0016 Å
• α: 77.095 ± 0.004°
• β: 78.88 ± 0.005°
• γ: 73.227 ± 0.009°
• Cell volume: 621.04 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No