Information card for entry 7002173

Structure parameters

• Formula: C20 H14 F6 N O P
• Calculated formula: C20 H14 F6 N O P
• SMILES: P(=O)(Cc1ncccc1)(c1c(cccc1)C(F)(F)F)c1c(cccc1)C(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: 8.9554 ± 0.0004 Å
• b: 9.6902 ± 0.0004 Å
• c: 11.0339 ± 0.0004 Å
• α: 88.599 ± 0.002°
• β: 74.127 ± 0.002°
• γ: 88.578 ± 0.002°
• Cell volume: 920.57 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No