Crystallography Open Database

Information card for entry 1577329

Preview

Coordinates	1577329.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LQM-FOTPA
Formula	C40.81 H33.22 N4 O2.81 S
Calculated formula	C40 H30 N4 O2 S
Title of publication	Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy
Authors of publication	Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong
Journal of publication	Chemical Science
Year of publication	2026
a	14.5824 ± 0.0002 Å
b	15.983 ± 0.0002 Å
c	17.9097 ± 0.0003 Å
α	97.88 ± 0.001°
β	113.254 ± 0.001°
γ	112.22 ± 0.001°
Cell volume	3342.99 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation probe	x-ray
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
306154 (current)	2026-06-01	cif/ Adding structures of 1577325, 1577326, 1577327, 1577328, 1577329, 1577330 via cif-deposit CGI script.	1577329.cif