Crystallography Open Database

Information card for entry 7250560

Preview

Coordinates	7250560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 F6 O2 S
Calculated formula	C18 H16 F6 O2 S
Title of publication	Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis
Authors of publication	Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	26
Pages of publication	7763 - 7770
a	21.0767 ± 0.0009 Å
b	9.2205 ± 0.0004 Å
c	9.3765 ± 0.0003 Å
α	90°
β	95.69 ± 0.004°
γ	90°
Cell volume	1813.23 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.1189
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.266
Weighted residual factors for all reflections included in the refinement	0.2803
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301001 (current)	2025-07-06	cif/ Updating files of 7250559, 7250560 Original log message: Adding full bibliography for 7250559--7250560.cif.	7250560.cif
300082	2025-06-14	cif/ Adding structures of 7250559, 7250560 via cif-deposit CGI script.	7250560.cif