Crystallography Open Database

Information card for entry 7241505

Preview

Coordinates	7241505.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	work
Formula	C15 H20 N4 O2
Calculated formula	C15 H20 N4 O2
Title of publication	Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism
Authors of publication	Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	317 - 323
a	17.2606 ± 0.0004 Å
b	10.9538 ± 0.0003 Å
c	8.1564 ± 0.0002 Å
α	90°
β	101.455 ± 0.001°
γ	90°
Cell volume	1511.41 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261622 (current)	2021-02-05	cif/ Updating files of 7241502, 7241503, 7241504, 7241505 Original log message: Adding full bibliography for 7241502--7241505.cif.	7241505.cif
259300	2020-11-29	cif/ Adding structures of 7241502, 7241503, 7241504, 7241505 via cif-deposit CGI script.	7241505.cif