Crystallography Open Database

Information card for entry 1542342

Preview

Structure parameters

Formula	C10 H12 F4 N2 O
Calculated formula	C10 H12 F4 N2 O
SMILES	FC1(F)n2c(ncc2)[C@](O)([C@@H](C1(F)F)C)CC.FC1(F)n2c(ncc2)[C@@](O)([C@H](C1(F)F)C)CC
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	7.1579 ± 0.0006 Å
b	12.4992 ± 0.0009 Å
c	24.3054 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2174.6 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103.2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	1542342.cif
177432	2016-03-04	cif/ Updating files of 1542341, 1542342, 1542343, 1542344 Original log message: Adding full bibliography for 1542341--1542344.cif.	1542342.cif
175245	2016-01-29	cif/ Adding structures of 1542342 via cif-deposit CGI script.	1542342.cif