Information card for entry 7127195

Structure parameters

• Formula: C10.29 H9.14 O1.14
• Calculated formula: C10.2857 H9.14286 O1.14286
• Title of publication: Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.
• Authors of publication: Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 81
• Pages of publication: 12198 - 12201
• a: 13.6891 ± 0.0004 Å
• b: 7.0857 ± 0.0002 Å
• c: 14.1959 ± 0.0005 Å
• α: 90°
• β: 91.491 ± 0.003°
• γ: 90°
• Cell volume: 1376.49 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No