Information card for entry 7002175

Structure parameters

• Formula: C20 H14 F6 N O2 P
• Calculated formula: C20 H14 F6 N O2 P
• SMILES: P(=O)(Cc1n(=O)cccc1)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
• Title of publication: Synthesis and lanthanide coordination chemistry of trifluoromethyl derivatives of phosphinoylmethyl pyridine N-oxides
• Authors of publication: Pailloux, Sylvie; Shirima, Cornel Edicome; Ray, Alisha D.; Duesler, Eileen N.; Smith, Karen Ann; Paine, Robert T.; Klaehn, John R.; McIlwain, Michael E.; Hay, Benjamin P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7486 - 7493
• a: 7.8219 ± 0.0006 Å
• b: 8.8196 ± 0.0007 Å
• c: 14.4992 ± 0.0012 Å
• α: 84.198 ± 0.004°
• β: 81.657 ± 0.004°
• γ: 72.516 ± 0.004°
• Cell volume: 942.18 ± 0.13 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No