Crystallography Open Database

Information card for entry 7159054

Preview

Coordinates	7159054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 F N O5
Calculated formula	C17 H20 F N O5
SMILES	N1(c2c(cccc2C)C(C1=O)(C)CC(F)(C(=O)OC)C(=O)OC)C
Title of publication	Electrochemical monofluoroalkylation cyclization of <i>N</i>-arylacrylamides to construct monofluorinated 2-oxindoles.
Authors of publication	Lv, Yanxia; Hou, Zhong-Wei; Wang, Yi; Li, Pinhua; Wang, Lei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	5
Pages of publication	1014 - 1020
a	15.456 ± 0.006 Å
b	8.301 ± 0.003 Å
c	13.506 ± 0.005 Å
α	90°
β	102.264 ± 0.007°
γ	90°
Cell volume	1693.3 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
281566 (current)	2023-03-04	cif/ Updating files of 7159054 Original log message: Adding full bibliography for 7159054.cif.	7159054.cif
280065	2022-12-31	cif/ Adding structures of 7159054 via cif-deposit CGI script.	7159054.cif