Crystallography Open Database

Information card for entry 7063161

Preview

Coordinates	7063161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H43 N7 O4 Zn
Calculated formula	C42 H43 N7 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	13.6149 ± 0.0001 Å
b	10.8328 ± 0.0001 Å
c	25.0497 ± 0.0003 Å
α	90°
β	93.326 ± 0.001°
γ	90°
Cell volume	3688.29 ± 0.06 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	0.036
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063161.html