Information card for entry 7127194

Structure parameters

• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: O1C(=O)[C@]2([C@H](c3ccccc3)[C@H]([C@@H]1c1c2cccc1)C)C.O1C(=O)[C@@]2([C@@H](c3ccccc3)[C@@H]([C@H]1c1c2cccc1)C)C
• 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: 14.4303 ± 0.0002 Å
• b: 7.16982 ± 0.00009 Å
• c: 14.45517 ± 0.00018 Å
• α: 90°
• β: 90.2129 ± 0.0013°
• γ: 90°
• Cell volume: 1495.56 ± 0.03 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: 0.053
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No