Crystallography Open Database

Information card for entry 7133432

Preview

Coordinates	7133432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 F N O2
Calculated formula	C18 H14 F N O2
Title of publication	Palladium-catalyzed 1,1-aminoxylation of 3-butenoic acid with 2-alkynylanilines.
Authors of publication	Zhang, Jinhui; Mao, Lihua; Liu, Chao; Tan, Xiangwen; Wu, Jiahao; Wei, Xuefeng; Wu, Wanqing; Jiang, Huanfeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	70
Pages of publication	9404 - 9407
a	9.277 ± 0.0006 Å
b	9.5602 ± 0.0006 Å
c	9.7665 ± 0.0006 Å
α	104.289 ± 0.002°
β	110.312 ± 0.002°
γ	107.388 ± 0.002°
Cell volume	713.26 ± 0.08 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	0.1178
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
294409 (current)	2024-09-06	cif/ Updating files of 7133432 Original log message: Adding full bibliography for 7133432.cif.	7133432.cif
293597	2024-07-31	cif/ Adding structures of 7133432 via cif-deposit CGI script.	7133432.cif