Information card for entry 1557146

Structure parameters

• Common name: 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
• Formula: C21 H30 F6 N O P
• Calculated formula: C21 F6 N O P
• SMILES: c1(N=POC(C(F)(F)F)C(F)(F)F)c(C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Crystal Structure of 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
• Authors of publication: Potschke, Norbert; Nieger, Martin; Niecke, Edgar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 337 - 339
• a: 6.007 ± 0.001 Å
• b: 14.899 ± 0.001 Å
• c: 13.269 ± 0.001 Å
• α: 90°
• β: 92.21 ± 0.01°
• γ: 90°
• Cell volume: 1186.7 ± 0.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No