Information card for entry 7035971

Structure parameters

• Chemical name: (CF3CF=CF)2PCH2CH2P(CF=CFCF3)2
• Formula: C14 H4 F20 P2
• Calculated formula: C14 H4 F20 P2
• SMILES: C(=C(\C(F)(F)F)F)(F)\P(CCP(C(=C(C(F)(F)F)\F)\F)/C(=C(C(F)(F)F)/F)F)C(=C(\C(F)(F)F)F)/F
• 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: 22.171 ± 0.006 Å
• b: 5.9138 ± 0.0011 Å
• c: 15.967 ± 0.003 Å
• α: 90°
• β: 106.437 ± 0.019°
• γ: 90°
• Cell volume: 2008 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2246
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.3558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No