Information card for entry 2007473

Structure parameters

• Chemical name: (1R,2R,5S,7R,8R,9S)-2,6,6,8-tetramethyl tricyclo[5.3.1^1,7^.0^1,5^]undecane-8,9-diol
• Formula: C15 H26 O2
• Calculated formula: C15 H26 O2
• SMILES: O[C@H]1C[C@]23C[C@@H]([C@@]1(C)O)C([C@@H]3CC[C@H]2C)(C)C
• Title of publication: Cedranediol: a New Auxiliary for Asymmetric Homologation
• Authors of publication: Yi-Lin Song; Yu-Bo Fan; Quan-Rui Wang; Zong-Biao Ding; Feng-Gang Tao; Ming-Qin Chen; Jie Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: IUC9800027
• a: 14.225 ± 0.002 Å
• b: 14.225 ± 0.002 Å
• c: 5.9 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1033.9 ± 0.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.41
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No