Crystallography Open Database

Information card for entry 7063171

Preview

Coordinates	7063171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 N8 O6 Zn
Calculated formula	C36 H42 N8 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
a	10.5815 ± 0.0004 Å
b	12.3264 ± 0.0005 Å
c	13.5644 ± 0.0006 Å
α	86.699 ± 0.004°
β	87.372 ± 0.003°
γ	82.306 ± 0.003°
Cell volume	1749.09 ± 0.12 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0734
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
291242 (current)	2024-04-17	cif/ Adding structures of 7063150, 7063151, 7063152, 7063153, 7063154, 7063155, 7063156, 7063157, 7063158, 7063159, 7063160, 7063161, 7063162, 7063163, 7063164, 7063165, 7063166, 7063167, 7063168, 7063169, 7063170, 7063171 via cif-deposit CGI script.	7063171.cif