Crystallography Open Database

Information card for entry 1547592

Preview

Coordinates	1547592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H59 N3 O2 Si2 Zn
Calculated formula	C47 H59 N3 O2 Si2 Zn
SMILES	[Zn@]12(Oc3c(cc(cc3C[N]1(CC1OC[C@H]([N]2=1)c1ccccc1)C(C)(C)C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands
Authors of publication	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan
Journal of publication	Macromolecules
Year of publication	2017
Journal volume	50
Journal issue	20
Pages of publication	7911
a	12.8077 ± 0.001 Å
b	17.5384 ± 0.0013 Å
c	19.331 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4342.3 ± 0.6 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	6
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	0.0907
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203996 (current)	2017-12-05	cif/ Updating files of 1547592, 1547593, 1547594, 1547595, 1547596, 1547597, 1547598 Original log message: Adding full bibliography for 1547592--1547598.cif.	1547592.cif
201790	2017-10-06	cif/ Adding structures of 1547592, 1547593, 1547594, 1547595, 1547596, 1547597, 1547598 via cif-deposit CGI script.	1547592.cif