Information card for entry 4123548

Structure parameters

• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: N1(C(=O)[C@@](O)(c2c1cccc2)[C@@H](C=C)c1ccccc1)Cc1ccccc1.N1(C(=O)[C@](O)(c2c1cccc2)[C@H](C=C)c1ccccc1)Cc1ccccc1
• Title of publication: Diastereoselective carbonyl allylation with simple olefins enabled by palladium complex-catalyzed C-h oxidative borylation.
• Authors of publication: Tao, Zhong-Lin; Li, Xing-Han; Han, Zhi-Yong; Gong, Liu-Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 12
• Pages of publication: 4054 - 4057
• a: 9.069 ± 0.002 Å
• b: 9.142 ± 0.002 Å
• c: 11.705 ± 0.003 Å
• α: 97.165 ± 0.005°
• β: 104.869 ± 0.004°
• γ: 94.914 ± 0.004°
• Cell volume: 923.6 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No