Crystallography Open Database

Information card for entry 1569309

Preview

Coordinates	1569309.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TPAPF6
Formula	C38.5 H37 F6 N6.5 O P
Calculated formula	C41 H36.5 F6 N4 O P
Title of publication	Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy
Authors of publication	Zhang, Shasha; Yang, Wenfang; Lu, Xiao; Zhang, Xinyi; Pan, Zhichao; Qu, Da-Hui; Mei, Dong; Mei, Ju; Tian, He
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	25
Pages of publication	7076 - 7085
a	13.844 ± 0.003 Å
b	14.078 ± 0.003 Å
c	20.216 ± 0.005 Å
α	83.878 ± 0.014°
β	87.451 ± 0.014°
γ	75.021 ± 0.014°
Cell volume	3783.8 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1288
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.2792
Weighted residual factors for all reflections included in the refinement	0.3054
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284566 (current)	2023-06-29	cif/ Adding structures of 1569309 via cif-deposit CGI script.	1569309.cif