Crystallography Open Database

Information card for entry 7063168

Preview

Coordinates	7063168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 N6 O6 Zn
Calculated formula	C32 H36 N6 O6 Zn
Title of publication	Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines
Authors of publication	Podjed, Nina; Košmrlj, Janez; Modec, Barbara
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	19
Pages of publication	8844 - 8859
a	9.9752 ± 0.0003 Å
b	11.1948 ± 0.0003 Å
c	14.1436 ± 0.0004 Å
α	90°
β	105.524 ± 0.003°
γ	90°
Cell volume	1521.8 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0384
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063168.html