Information card for entry 1548722

Structure parameters

• Formula: C12 H15 O P
• Calculated formula: C12 H15 O P
• SMILES: [P@]1(=O)([C@@H]2CC[C@H](C1)C2)c1ccccc1
• Title of publication: Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination.
• Authors of publication: Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1867 - 1872
• a: 8.6681 ± 0.0006 Å
• b: 10.3977 ± 0.0007 Å
• c: 11.4123 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1028.57 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No