Information card for entry 7024558

Structure parameters

• Formula: C15 H10 F7 P
• Calculated formula: C15 H10 F7 P
• SMILES: P(c1ccccc1)(c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and complexation of heptafluoroisopropyldiphenylphosphine.
• Authors of publication: Lewis-Alleyne, Lesley C; Murphy-Jolly, Makeba B; Le Goff, Xavier F.; Caffyn, Andrew J. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1198 - 1200
• a: 8.918 ± 0.001 Å
• b: 26.234 ± 0.001 Å
• c: 6.377 ± 0.001 Å
• α: 90°
• β: 99.421 ± 0.001°
• γ: 90°
• Cell volume: 1471.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No