Crystallography Open Database

Information card for entry 7245037

Preview

Coordinates	7245037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H38 O4
Calculated formula	C47 H38 O4
SMILES	O=C(/C(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)=C(/C=C/c1ccc(OC)cc1)O)/C=C/c1ccc(OC)cc1
Title of publication	A curcumin-based AIEE-active fluorescent probe for Cu2+ detection in aqueous solution
Authors of publication	Lin, Yang; Yu, Ao; Wang, Jinjing; Kong, Derui; Liu, Hongtao; Li, Jianwei; Jia, Chunman
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	26
Pages of publication	16772 - 16778
a	11.3529 ± 0.0009 Å
b	13.0942 ± 0.0011 Å
c	13.9528 ± 0.0012 Å
α	63.486 ± 0.005°
β	77.327 ± 0.006°
γ	78.923 ± 0.006°
Cell volume	1800.2 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2143
Weighted residual factors for all reflections included in the refinement	0.2316
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
275853 (current)	2022-06-07	cif/ Adding structures of 7245037 via cif-deposit CGI script.	7245037.cif