Crystallography Open Database

Information card for entry 7160189

Preview

Coordinates	7160189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O S
Calculated formula	C17 H22 O S
Title of publication	Visible-light photoredox-catalyzed three-component radical alkyl-acylation of [1.1.1]propellane.
Authors of publication	Liu, Lanqin; Guo, Shengkun; Chen, Chengjun; Shen, Xiaoyu; Chen, Xiaoyun; Yu, Huaguang; Han, Ying; Sun, Qiu; Zhu, Shaoqun; Hou, Hong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	47
Pages of publication	9192 - 9196
a	6.4888 ± 0.001 Å
b	17.779 ± 0.003 Å
c	13.5432 ± 0.0019 Å
α	90°
β	101.669 ± 0.004°
γ	90°
Cell volume	1530.1 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
296688 (current)	2024-12-06	cif/ Updating files of 7160189 Original log message: Adding full bibliography for 7160189.cif.	7160189.cif
295586	2024-10-23	cif/ Adding structures of 7160189 via cif-deposit CGI script.	7160189.cif