Crystallography Open Database

Information card for entry 1571757

Preview

Coordinates	1571757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 Cl Fe N2 O2 S
Calculated formula	C27 H27 Cl Fe N2 O2 S
Title of publication	How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.
Authors of publication	Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10477 - 10490
a	15.0583 ± 0.0004 Å
b	17.6346 ± 0.0005 Å
c	9.3797 ± 0.0003 Å
α	90°
β	90.429 ± 0.002°
γ	90°
Cell volume	2490.68 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293755 (current)	2024-08-05	cif/ Updating files of 1571755, 1571756, 1571757 Original log message: Adding full bibliography for 1571755--1571757.cif.	1571757.cif
292137	2024-06-01	cif/ Adding structures of 1571755, 1571756, 1571757 via cif-deposit CGI script.	1571757.cif