Crystallography Open Database

Information card for entry 1572139

Preview

Coordinates	1572139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O2
Calculated formula	C19 H19 N O2
Title of publication	Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis.
Authors of publication	Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	32
Pages of publication	12983 - 12988
a	5.9905 ± 0.0004 Å
b	8.0684 ± 0.0005 Å
c	16.5496 ± 0.0009 Å
α	96.029 ± 0.005°
β	98.627 ± 0.005°
γ	92.934 ± 0.005°
Cell volume	784.65 ± 0.08 Å³
Cell temperature	453 ± 2 K
Ambient diffraction temperature	453 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2314
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294465 (current)	2024-09-06	cif/ Updating files of 1572139 Original log message: Adding full bibliography for 1572139.cif.	1572139.cif
293447	2024-07-18	cif/ Adding structures of 1572139 via cif-deposit CGI script.	1572139.cif