Crystallography Open Database

Information card for entry 7247024

Preview

Coordinates	7247024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 N5 O
Calculated formula	C28 H23 N5 O
SMILES	n1(c2c(c3c1ccc(n1c4ccccc4nc1)c3)cc(n1cnc3c1cccc3)cc2)C.OC
Title of publication	A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions
Authors of publication	Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	32
Pages of publication	4531 - 4538
a	17.7843 ± 0.0002 Å
b	34.8725 ± 0.0004 Å
c	7.54963 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	4682.15 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286099 (current)	2023-09-05	cif/ Updating files of 7247024, 7247025 Original log message: Adding full bibliography for 7247024--7247025.cif.	7247024.cif
285203	2023-07-14	cif/ Adding structures of 7247024, 7247025 via cif-deposit CGI script.	7247024.cif