Crystallography Open Database

Information card for entry 7125137

Preview

Coordinates	7125137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 Cl O4
Calculated formula	C25 H15 Cl O4
Title of publication	Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.
Authors of publication	Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	97
Pages of publication	13955 - 13958
a	6.3385 ± 0.0016 Å
b	15.072 ± 0.004 Å
c	20.735 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1980.9 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7125137.html