Crystallography Open Database

Information card for entry 4032755

Preview

Coordinates	4032755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.88 H14.76 F3 N2 O3
Calculated formula	C14.879 H14.748 F3 N2 O3
SMILES	N(=O)(=C1\c2c(NC1=O)ccc(c2)OC(F)(F)F)/C=C/CCCC
Title of publication	Copper-Catalyzed Selective N-Vinylation of 3-(Hydroxyimino)indolin-2-ones with Alkenyl Boronic Acids: Synthesis of N-Vinyl Nitrones and Spirooxindoles.
Authors of publication	Chen, Chun-Hua; Liu, Qing-Qing; Ma, Xiao-Pan; Feng, Yu; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	12
Pages of publication	6417 - 6425
a	5.158 ± 0.004 Å
b	9.565 ± 0.007 Å
c	16.058 ± 0.011 Å
α	87.872 ± 0.011°
β	87.558 ± 0.011°
γ	83.708 ± 0.012°
Cell volume	786.3 ± 1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0976
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.2952
Weighted residual factors for all reflections included in the refinement	0.3103
Goodness-of-fit parameter for all reflections included in the refinement	1.358
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
200335 (current)	2017-09-07	cif/ Adding structures of 4032755 via cif-deposit CGI script.	4032755.cif