Information card for entry 4502413

Structure parameters

• Chemical name: trans-1,4-cyclohexanediol
• Formula: C6 H12 O2
• Calculated formula: C6 H12 O2
• Title of publication: Polymorphism oftrans-1,4-Cyclohexanediol: Conformational Isomorphism
• Authors of publication: Maria, Teresa M. R.; Castro, Ricardo A. E.; Bebiano, Suse S.; Ramos Silva, M.; Matos Beja, A.; Canotilho, João; Eusébio, M. Ermelinda S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1194
• a: 7.798 ± 0.0008 Å
• b: 8.9221 ± 0.0008 Å
• c: 9.3291 ± 0.0009 Å
• α: 90°
• β: 96.633 ± 0.007°
• γ: 90°
• Cell volume: 644.72 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No