Information card for entry 1548635

Structure parameters

• Formula: C23 H24 O2
• Calculated formula: C23 H24 O2
• SMILES: O[C@@]1(CCC(=C\c2ccccc2)/[C@H]2CCCC(=O)[C@H]12)c1ccccc1
• Title of publication: Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds.
• Authors of publication: Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1873 - 1877
• a: 9.7798 ± 0.0002 Å
• b: 10.6568 ± 0.0002 Å
• c: 17.5257 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1826.55 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 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: 0.0454
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No