Information card for entry 7127196

Structure parameters

• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: O1[C@@H]2c3c([C@@]([C@@](c4ccccc4)(C2)C)(C1=O)C)cccc3.O1[C@H]2c3c([C@]([C@](c4ccccc4)(C2)C)(C1=O)C)cccc3
• 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: 7.2898 ± 0.0002 Å
• b: 15.8113 ± 0.0004 Å
• c: 25.4414 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2932.41 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No