Crystallography Open Database

Information card for entry 1567256

Preview

Coordinates	1567256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H86 N2 O4.25 Y
Calculated formula	C50 H86 N2 O4.25 Y
Title of publication	Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands
Authors of publication	Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong
Journal of publication	Polymer Chemistry
Year of publication	2022
Journal volume	13
Journal issue	29
Pages of publication	4249 - 4259
a	21.9272 ± 0.0008 Å
b	11.1967 ± 0.0005 Å
c	41.785 ± 0.002 Å
α	90°
β	92.244 ± 0.004°
γ	90°
Cell volume	10250.9 ± 0.8 Å³
Cell temperature	294.06 ± 0.1 K
Ambient diffraction temperature	294.06 ± 0.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.1342
Residual factor for significantly intense reflections	0.1046
Weighted residual factors for significantly intense reflections	0.2596
Weighted residual factors for all reflections included in the refinement	0.2917
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277145 (current)	2022-08-06	cif/ Updating files of 1567255, 1567256 Original log message: Adding full bibliography for 1567255--1567256.cif.	1567256.cif
276722	2022-07-07	cif/ Adding structures of 1567255, 1567256 via cif-deposit CGI script.	1567256.cif