Information card for entry 2234170

Structure parameters

• Chemical name: Tetramethyl <i>N</i>,<i>N</i>'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane- 1,5-diyl)bis(phosphoramidate)
• Formula: C9 H14 F6 N2 O8 P2
• Calculated formula: C9 H14 F6 N2 O8 P2
• SMILES: C(C(C(=O)NP(=O)(OC)OC)(F)F)(F)(C(C(=O)NP(=O)(OC)OC)(F)F)F
• Title of publication: Tetramethyl <i>N</i>,<i>N</i>'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane-1,5-diyl)bis(phosphoramidate)
• Authors of publication: Trush, Victor A.; Gubina, Kateryna E.; Gumeniuk, Yaroslav O.; Sliva, Tetyana Yu.; Konovalova, Irina S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1127
• a: 19.7862 ± 0.0013 Å
• b: 5.2801 ± 0.0004 Å
• c: 16.9943 ± 0.0011 Å
• α: 90°
• β: 100.427 ± 0.006°
• γ: 90°
• Cell volume: 1746.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes