Crystallography Open Database

Information card for entry 7119250

7119249 << 7119250 >> 7119251

Preview

Coordinates	7119250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 F0.25 N O
Calculated formula	C12 H7 F2 N O
SMILES	FC1(F)c2c(NC1=O)ccc1c2cccc1
Title of publication	Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.
Authors of publication	Ke, Miaolin; Song, Qiuling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	14
Pages of publication	2222 - 2225
a	10.9946 ± 0.001 Å
b	7.5522 ± 0.0007 Å
c	11.4653 ± 0.001 Å
α	90°
β	97.431 ± 0.009°
γ	90°
Cell volume	944.01 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0668
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation probe	x-ray
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
193694 (current)	2017-03-05	cif/ Updating files of 7119248, 7119249, 7119250 Original log message: Adding full bibliography for 7119248--7119250.cif.	7119250.cif
189744	2017-01-01	cif/ Adding structures of 7119248, 7119249, 7119250 via cif-deposit CGI script.	7119250.cif