Crystallography Open Database

Information card for entry 7060318

Preview

Coordinates	7060318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 N2 O Zn
Calculated formula	C22 H30 N2 O Zn
SMILES	[Zn]1([n]2c(C(N1c1c(cccc1C(C)C)C(C)C)=C)cccc2OC)CC
Title of publication	Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone
Authors of publication	Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	8
Pages of publication	3800 - 3808
a	11.7931 ± 0.0013 Å
b	11.932 ± 0.0006 Å
c	16.349 ± 0.0014 Å
α	90°
β	116.701 ± 0.008°
γ	90°
Cell volume	2055.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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