Crystallography Open Database

Information card for entry 7063169

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Coordinates	7063169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 N8 O6 Zn
Calculated formula	C44 H50 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	11.269 ± 0.0002 Å
b	17.3987 ± 0.0003 Å
c	11.4134 ± 0.0002 Å
α	90°
β	115.978 ± 0.002°
γ	90°
Cell volume	2011.68 ± 0.07 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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

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