Crystallography Open Database

Information card for entry 1567778

Preview

Coordinates	1567778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cl2 N2 P Zn
Calculated formula	C29 H29 Cl2 N2 P Zn
SMILES	[Zn]1(Cl)(Cl)[n]2c3C([NH]1CCP(c1ccccc1)c1ccccc1)CCCc3ccc2c1ccccc1
Title of publication	Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL
Authors of publication	Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	22
Pages of publication	6687 - 6703
a	14.5983 ± 0.0001 Å
b	11.3593 ± 0.0001 Å
c	16.4355 ± 0.0001 Å
α	90°
β	101.497 ± 0.001°
γ	90°
Cell volume	2670.76 ± 0.04 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
280158 (current)	2023-01-06	cif/ Updating files of 1567777, 1567778 Original log message: Adding full bibliography for 1567777--1567778.cif.	1567778.cif
278590	2022-10-15	cif/ Adding structures of 1567777, 1567778 via cif-deposit CGI script.	1567778.cif