Information card for entry 2210839

Structure parameters

• Chemical name: (1R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: OC([C@]12C(C)([C@H](CC1)CC2=O)C)(c1ccccc1)c1ccccc1
• Title of publication: (1<i>R</i>,4<i>R</i>)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
• Authors of publication: Gao, Yu-Xing; Tang, Guo; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4521 - o4522
• a: 9.168 ± 0.002 Å
• b: 10.053 ± 0.002 Å
• c: 18.405 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.053
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes