Crystallography Open Database

Information card for entry 7160377

Preview

Coordinates	7160377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 O5
Calculated formula	C13 H14 O5
Title of publication	Visible-light-mediated radical difunctionalization of alkenes with aromatic aldehydes.
Authors of publication	Xu, Zhenhua; Geng, Tao; Du, Jun; Zuo, Youpeng; Hu, Xiaoxiao; Liu, Lin; Shi, Zhiqiang; Huang, Huawen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	11
Pages of publication	2625 - 2629
a	13.7949 ± 0.0008 Å
b	6.9944 ± 0.0003 Å
c	14.1314 ± 0.0008 Å
α	90°
β	117.585 ± 0.007°
γ	90°
Cell volume	1208.5 ± 0.14 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	3
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	0.0893
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
299131 (current)	2025-04-05	cif/ Updating files of 7160377 Original log message: Adding full bibliography for 7160377.cif.	7160377.cif
297740	2025-02-14	cif/ Adding structures of 7160377 via cif-deposit CGI script.	7160377.cif