Crystallography Open Database

Information card for entry 7063167

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Coordinates	7063167.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	13.7663 ± 0.0004 Å
b	7.4819 ± 0.0002 Å
c	17.7683 ± 0.0005 Å
α	90°
β	103.158 ± 0.003°
γ	90°
Cell volume	1782.05 ± 0.09 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	0.0562
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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