Information card for entry 7155517

Structure parameters

• Formula: C11 H12 O2
• Calculated formula: C11 H12 O2
• SMILES: O(C)[C@H]1C=Cc2ccccc2[C@H]1O
• Title of publication: Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.
• Authors of publication: Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2359 - 2362
• a: 4.6462 ± 0.0002 Å
• b: 9.7488 ± 0.0003 Å
• c: 19.6719 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 891.04 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No