Information card for entry 2201070

Structure parameters

• Formula: C11 H18 O2
• Calculated formula: C11 H18 O2
• SMILES: C[C@@]1(C(=C)C[C@H]2[C@H]([C@@H]1C[C@@H]2C)O)O.C[C@]1(C(=C)C[C@@H]2[C@@H]([C@H]1C[C@H]2C)O)O
• Title of publication: 2,6-Dimethyl-3-methylenebicyclo[3.2.1]octane-2,8-diol
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o673 - o674
• a: 6.8216 ± 0.0014 Å
• b: 18.934 ± 0.004 Å
• c: 8.161 ± 0.0016 Å
• α: 90°
• β: 107.76 ± 0.03°
• γ: 90°
• Cell volume: 1003.8 ± 0.4 ų
• Cell temperature: 150 ± 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 significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes