Information card for entry 2217605

Structure parameters

• Chemical name: 1,2-Bis{bis[4-(trifluoromethyl)phenyl]phosphino}ethane
• Formula: C30 H20 F12 P2
• Calculated formula: C30 H20 F12 P2
• SMILES: FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)CCP(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F
• Title of publication: 1,2-Bis{bis[4-(trifluoromethyl)phenyl]phosphino}ethane
• Authors of publication: Bork, Matthew A.; Krueger, Aaron M.; Tanke, Robin S.; Brummer, James G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o421 - o421
• a: 15.188 ± 0.011 Å
• b: 5.402 ± 0.004 Å
• c: 18.123 ± 0.013 Å
• α: 90°
• β: 99.044 ± 0.009°
• γ: 90°
• Cell volume: 1468.4 ± 1.9 ų
• Cell temperature: 208 K
• Ambient diffraction temperature: 208 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1617
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9463
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes