Information card for entry 2214127

Structure parameters

• Chemical name: Tris(1,1,1,3,3,3-hexafluoroisopropyl) phosphate
• Formula: C9 H3 F18 O4 P
• Calculated formula: C9 H3 F18 O4 P
• SMILES: P(=O)(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• Title of publication: Tris(1,1,1,3,3,3-hexafluoroisopropyl) phosphate
• Authors of publication: Saaidi, Pierre-Loïc; Jeanneau, Erwann; Hasserodt, Jens
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3241 - o3242
• a: 18.9045 ± 0.0004 Å
• b: 9.9101 ± 0.0003 Å
• c: 19.176 ± 0.0005 Å
• α: 90°
• β: 107.044 ± 0.002°
• γ: 90°
• Cell volume: 3434.75 ± 0.16 ų
• Cell temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes