Information card for entry 1555975

Structure parameters

• Formula: C11 H9 F0.5 N0.5 O1.5
• Calculated formula: C11 H9 F0.5 N0.5 O1.5
• Title of publication: Diastereospecific and Enantioselective Access to Dispirooxindoles from Furfurylcyclobutanols by Means of a Pd-Catalyzed Arylative Dearomatization/Ring Expansion Cascade.
• Authors of publication: Liu, Jianchao; Peng, Hui; Lu, Lin; Xu, Xiaobing; Jiang, Huanfeng; Yin, Biaolin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6440 - 6443
• a: 6.2872 ± 0.0003 Å
• b: 10.7075 ± 0.0008 Å
• c: 13.7223 ± 0.0008 Å
• α: 80.562 ± 0.006°
• β: 85.731 ± 0.004°
• γ: 87.096 ± 0.005°
• Cell volume: 908.06 ± 0.1 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No