Crystallography Open Database

Information card for entry 7714510

Preview

Coordinates	7714510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H47 N3 O Zn
Calculated formula	C35 H47 N3 O Zn
SMILES	C1(=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Zn]2(N1c1c(cccc1C(C)C)C(C)C)[n]1c(cccc1C)O2)C
Title of publication	NacNac-zinc-pyridonate mediated ε-caprolactone ROP.
Authors of publication	Hughes, Jack W. J.; Babula, Dawid J.; Stowers-Veitch, Findlay; Yuan, Kang; Uzelac, Marina; Nichol, Gary S.; Ingleson, Michael J.; Garden, Jennifer A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	12.3962 ± 0.0003 Å
b	16.5432 ± 0.0004 Å
c	17.1649 ± 0.0004 Å
α	78.352 ± 0.002°
β	83.508 ± 0.002°
γ	70.096 ± 0.002°
Cell volume	3237.86 ± 0.14 Å³
Cell temperature	120 ± 0.5 K
Ambient diffraction temperature	120 ± 0.5 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	0.096
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation probe	x-ray
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
287695 (current)	2023-11-21	cif/ Adding structures of 7714510, 7714511 via cif-deposit CGI script.	7714510.cif