Crystallography Open Database

Information card for entry 7156135

Preview

Structure parameters

Formula	C21 H29 N3 O3
Calculated formula	C21 H29 N3 O3
Title of publication	A reversible and highly selective two-photon fluorescent "on-off-on" probe for biological Cu<sup>2+</sup> detection.
Authors of publication	Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	13
Pages of publication	2264 - 2268
a	16.772 ± 0.003 Å
b	9.0637 ± 0.0015 Å
c	25.832 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3926.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156135.cif
230786	2019-11-17	cif/ Updating files of 7156135 Original log message: Adding full bibliography for 7156135.cif.	7156135.cif
206782	2018-03-06	cif/ Adding structures of 7156135 via cif-deposit CGI script.	7156135.cif