Information card for entry 2208058

Structure parameters

• Chemical name: Trans-1,4 dimethyl cyclohexane
• Formula: C8 H16
• Calculated formula: C8 H16
• SMILES: C[C@@H]1CC[C@H](CC1)C
• Title of publication: <i>trans</i>-1,4-Dimethylcyclohexane
• Authors of publication: Bream, Richard; Watkin, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o414 - o415
• a: 6.0843 ± 0.0002 Å
• b: 5.4818 ± 0.0002 Å
• c: 11.7629 ± 0.0005 Å
• α: 90°
• β: 103.892 ± 0.0018°
• γ: 90°
• Cell volume: 380.85 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes