Crystallography Open Database

Information card for entry 4348847

Preview

Coordinates	4348847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 N2 O Zn
Calculated formula	C25 H42 N2 O Zn
SMILES	[C@H]12[C@@H](CCCC1)[N](C)(C)[Zn]1(CC)[N]2=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1.[C@@H]12[C@H](CCCC1)[N](C)(C)[Zn]1(CC)[N]2=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1
Title of publication	The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.
Authors of publication	Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	18
Pages of publication	9445 - 9453
a	10.8221 ± 0.0013 Å
b	8.2063 ± 0.001 Å
c	27.479 ± 0.003 Å
α	90°
β	91.9 ± 0.002°
γ	90°
Cell volume	2439.1 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.032
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
233424 (current)	2019-11-23	cif/ Adding structures of 4348847, 4348848, 4348849, 4348850, 4348851, 4348852 via cif-deposit CGI script.	4348847.cif