Information card for entry 7213230

Structure parameters

• Chemical name: trans-cyclohexane-1,4-diol
• Formula: C6 H12 O2
• Calculated formula: C6 H12 O2
• 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: 6.374 ± 0.001 Å
• b: 21.313 ± 0.005 Å
• c: 7.328 ± 0.002 Å
• α: 90°
• β: 95.864 ± 0.01°
• γ: 90°
• Cell volume: 990.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No