Crystallography Open Database

Information card for entry 1545103

Preview

Coordinates	1545103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 N2 O2 Zn
Calculated formula	C36 H56 N2 O2 Zn
SMILES	[Zn]12(Oc3c(cc(cc3)C(C)(C)C)C[N]1(C)C1CCCCC1)Oc1c(cc(cc1)C(C)(C)C)C[N]2(C)C1CCCCC1
Title of publication	Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.
Authors of publication	Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1349 - 1365
a	5.986 ± 0.002 Å
b	12.333 ± 0.003 Å
c	23.801 ± 0.006 Å
α	102.2 ± 0.03°
β	96.27 ± 0.02°
γ	96.31 ± 0.02°
Cell volume	1691.1 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
193448 (current)	2017-03-04	cif/ Updating files of 1545100, 1545101, 1545102, 1545103 Original log message: Adding full bibliography for 1545100--1545103.cif.	1545103.cif
190786	2017-01-21	cif/ Adding structures of 1545100, 1545101, 1545102, 1545103 via cif-deposit CGI script.	1545103.cif