Information card for entry 7155516

Structure parameters

• Formula: C10 H10 O
• Calculated formula: C10 H10 O
• SMILES: O[C@H]1CC=Cc2c1cccc2
• 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: 19.0072 ± 0.0009 Å
• b: 19.0072 ± 0.0009 Å
• c: 5.7243 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1790.97 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No