Information card for entry 2214927

Structure parameters

• Chemical name: 2,6-Dimethyl-9-oxabicyclo[3.3.1]nonane-endo-2,endo-6-diol
• Formula: C10 H18 O3
• Calculated formula: C10 H18 O3
• SMILES: C[C@]1(O)CC[C@@H]2O[C@H]1CC[C@]2(C)O.C[C@@]1(O)CC[C@H]2O[C@@H]1CC[C@@]2(C)O
• Title of publication: 2,6-Dimethyl-9-oxabicyclo[3.3.1]nonane-<i>endo</i>-2,<i>endo</i>-6-diol
• Authors of publication: López-Rodríguez, M.; Foces-Foces, C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3537 - o3538
• a: 10.89 ± 0.0002 Å
• b: 9.9227 ± 0.0002 Å
• c: 18.8981 ± 0.0003 Å
• α: 90°
• β: 104.658 ± 0.011°
• γ: 90°
• Cell volume: 1975.63 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes