Crystallography Open Database

Information card for entry 1542343

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Structure parameters

Formula	C14 H10 F4 N2
Calculated formula	C14 H10 F4 N2
SMILES	FC1(F)n2c(ncc2)C(=C(C1(F)F)C)c1ccccc1
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	10.869 ± 0.0018 Å
b	18.902 ± 0.003 Å
c	12.575 ± 0.002 Å
α	90°
β	108.712 ± 0.003°
γ	90°
Cell volume	2446.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.138
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	0.713
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1542343.cif
177432	2016-03-04	cif/ Updating files of 1542341, 1542342, 1542343, 1542344 Original log message: Adding full bibliography for 1542341--1542344.cif.	1542343.cif
175246	2016-01-29	cif/ Adding structures of 1542343 via cif-deposit CGI script.	1542343.cif