Crystallography Open Database

Information card for entry 1542341

Preview

Coordinates	1542341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 F4 N2
Calculated formula	C19 H16 F4 N2
SMILES	FC1(F)n2c(nc3ccccc23)C(CC1(F)F)CCc1ccccc1
Title of publication	Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.
Authors of publication	Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	756 - 759
a	12.3203 ± 0.0009 Å
b	6.9979 ± 0.0005 Å
c	19.3532 ± 0.0013 Å
α	90°
β	102.017 ± 0.003°
γ	90°
Cell volume	1632 ± 0.2 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	101.7 K
Number of distinct elements	4
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	0.0805
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
177432 (current)	2016-03-04	cif/ Updating files of 1542341, 1542342, 1542343, 1542344 Original log message: Adding full bibliography for 1542341--1542344.cif.	1542341.cif
175244	2016-01-29	cif/ Adding structures of 1542341 via cif-deposit CGI script.	1542341.cif