Crystallography Open Database

Information card for entry 7249874

Preview

Coordinates	7249874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O4
Calculated formula	C20 H19 N O4
Title of publication	Photochromic pyridylfulgenates and their cadmium complexes
Authors of publication	Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	11
Pages of publication	1548 - 1559
a	12.5813 ± 0.0012 Å
b	9.8659 ± 0.0012 Å
c	14.7378 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1829.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298863 (current)	2025-04-05	cif/ Updating files of 7249873, 7249874, 7249875, 7249876, 7249877, 7249878 Original log message: Adding full bibliography for 7249873--7249878.cif.	7249874.cif
297551	2025-02-01	cif/ Adding structures of 7249873, 7249874, 7249875, 7249876, 7249877, 7249878 via cif-deposit CGI script.	7249874.cif