Information card for entry 2222950

Structure parameters

• Chemical name: (2<i>R</i>,4<i>R</i>)-2-Hydroxy-4-(2-methoxyphenyl)bicyclo[3.3.1]nonan-9-one
• Formula: C16 H20 O3
• Calculated formula: C16 H20 O3
• SMILES: O[C@@H]1C[C@H]([C@H]2CCC[C@@H]1C2=O)c1ccccc1OC
• Title of publication: (2<i>R</i>,4<i>R</i>)-2-Hydroxy-4-(2-methoxyphenyl)bicyclo[3.3.1]nonan-9-one
• Authors of publication: Luo, Shuping; Zhang, Guangcun; Zhang, Shuai; Wang, Yifeng; Zhang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2012
• a: 6.9378 ± 0.0005 Å
• b: 12.5291 ± 0.0011 Å
• c: 16.0726 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1397.1 ± 0.2 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes