Information card for entry 2219498

Structure parameters

• Chemical name: 1,2,3,4-Tetramethylcyclopent-2-ene-1,4-diol
• Formula: C9 H16 O2
• Calculated formula: C9 H16 O2
• SMILES: O[C@]1(C[C@@](O)(C(=C1C)C)C)C
• Title of publication: 1,2,3,4-Tetramethylcyclopent-2-ene-1,4-diol
• Authors of publication: Blaurock, Steffen; Fischer, Axel; Gottfriedsen, Jochen; Spoida, Marlies; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1881
• a: 13.006 ± 0.003 Å
• b: 10.5279 ± 0.0016 Å
• c: 13.892 ± 0.002 Å
• α: 90°
• β: 107.257 ± 0.01°
• γ: 90°
• Cell volume: 1816.5 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes