Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.
Authors of publication
Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min
Journal of publication
Journal of the American Chemical Society
Year of publication
2019
Journal volume
141
Journal issue
2
Pages of publication
961 - 971
a
10.3489 ± 0.0003 Å
b
6.3912 ± 0.0003 Å
c
11.1677 ± 0.0004 Å
α
90°
β
94.707 ± 0.003°
γ
90°
Cell volume
736.16 ± 0.05 Å3
Cell temperature
295 ± 2 K
Ambient diffraction temperature
295 ± 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
0.0825
Residual factor for significantly intense reflections
0.053
Weighted residual factors for significantly intense reflections
0.1168
Weighted residual factors for all reflections included in the refinement
0.1324
Goodness-of-fit parameter for all reflections included in the refinement
