Crystallography Open Database

Information card for entry 1555239

Preview

Coordinates	1555239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 N2 O2 Zn2
Calculated formula	C30 H46 N2 O2 Zn2
SMILES	c1(ccccc1)[Zn]1[O]([Zn](c2ccccc2)[N]2(C(CCCC2(C)C)(C)C)O1)N1C(CCCC1(C)C)(C)C
Title of publication	Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.
Authors of publication	Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz
Journal of publication	Chemical science
Year of publication	2019
Journal volume	10
Journal issue	30
Pages of publication	7149 - 7155
a	9.4169 ± 0.0003 Å
b	30.0759 ± 0.0006 Å
c	10.6586 ± 0.0003 Å
α	90°
β	106.582 ± 0.003°
γ	90°
Cell volume	2893.2 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0662
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
238417 (current)	2019-11-24	cif/ Adding structures of 1555238, 1555239, 1555240 via cif-deposit CGI script.	1555239.cif