Information card for entry 7213234

Structure parameters

• Chemical name: trans-1,4-di-(1,1,2,3,3,3-hexafluoropropyl)-cyclohexane-1,4-diol aldol (3:2)
• Formula: C48 H60 F36 O10
• Calculated formula: C48 H59.242 F36 O10
• Title of publication: Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene
• Authors of publication: Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1639
• a: 10.709 ± 0.004 Å
• b: 10.853 ± 0.003 Å
• c: 13.926 ± 0.004 Å
• α: 106.98 ± 0.01°
• β: 99.83 ± 0.02°
• γ: 91.33 ± 0.01°
• Cell volume: 1520.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No