Information card for entry 4123924

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: O(c1cc(ccc1)[C@H](C(=O)OC)c1ccc(N2CCCC2)cc1)C
• Title of publication: Catalytic Asymmetric Arylation of α-Aryl-α-diazoacetates with Aniline Derivatives.
• Authors of publication: Xu, Bin; Li, Mao-Lin; Zuo, Xiao-Dong; Zhu, Shou-Fei; Zhou, Qi-Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 27
• Pages of publication: 8700 - 8703
• a: 9.286 ± 0.004 Å
• b: 10.034 ± 0.005 Å
• c: 18.234 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1699 ± 1.5 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: 0.0384
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No