Crystallography Open Database

Information card for entry 7128121

Preview

Coordinates	7128121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 F N O2
Calculated formula	C23 H16 F N O2
Title of publication	Synthesis of 2-isoxazolyl-2,3-dihydrobenzofurans <i>via</i> palladium-catalyzed cascade cyclization of alkenyl ethers.
Authors of publication	Zhou, Fei; Li, Can; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Zhang, Yingjun; Wu, Wanqing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	39
Pages of publication	4799 - 4802
a	5.7119 ± 0.0003 Å
b	11.2727 ± 0.0007 Å
c	14.3335 ± 0.0008 Å
α	72.075 ± 0.002°
β	83.916 ± 0.002°
γ	83.801 ± 0.002°
Cell volume	870.39 ± 0.09 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265878 (current)	2021-06-05	cif/ Updating files of 7128121, 7128122 Original log message: Adding full bibliography for 7128121--7128122.cif.	7128121.cif
263503	2021-04-01	cif/ Adding structures of 7128121, 7128122 via cif-deposit CGI script.	7128121.cif