Crystallography Open Database

Information card for entry 7063153

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Coordinates	7063153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 N5 O4 Zn
Calculated formula	C30 H31 N5 O4 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	7.9815 ± 0.0001 Å
b	12.012 ± 0.0003 Å
c	15.0991 ± 0.0003 Å
α	81.099 ± 0.002°
β	79.411 ± 0.002°
γ	85.675 ± 0.002°
Cell volume	1404.17 ± 0.05 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	0.0398
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0758
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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