Information card for entry 4026490

Structure parameters

• Formula: C23 H20 Cl N O
• Calculated formula: C23 H20 Cl N O
• SMILES: Clc1ccc(/C(=N/O[C@H](c2ccccc2)/C=C/c2ccccc2)C)cc1
• Title of publication: Pd-Catalyzed Asymmetric Allylic Etherizations with Oximes by Chiral Alkene-Phosphine Ligands
• Authors of publication: Ziping Cao; Zhaoqun Liu; Yilin Liu; Haifeng Du
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 6401 - 6406
• a: 10.3229 ± 0.0016 Å
• b: 7.8229 ± 0.0012 Å
• c: 11.7671 ± 0.0018 Å
• α: 90°
• β: 99.978 ± 0.011°
• γ: 90°
• Cell volume: 935.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No