Crystallography Open Database

Information card for entry 7063152

Preview

Coordinates	7063152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H41.5 N6.5 O4 Zn
Calculated formula	C33 H41.5 N6.5 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
Journal volume	48
Journal issue	19
Pages of publication	8844 - 8859
a	10.5552 ± 0.0004 Å
b	12.0176 ± 0.0005 Å
c	13.4817 ± 0.0006 Å
α	72.156 ± 0.004°
β	86.674 ± 0.003°
γ	86.036 ± 0.003°
Cell volume	1622.75 ± 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	0.0506
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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