Crystallography Open Database

Information card for entry 1518141

Preview

Coordinates	1518141.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(4-Chlorophenyl)-4-methyl-4-phenyl-4,5-dihydrooxazole
Formula	C13 H14 N2 O2
Calculated formula	C13 H14 N2 O2
Title of publication	Visible light C‒H amidation of heteroarenes with benzoyl azides
Authors of publication	Brachet, E.; Ghosh, T.; Ghosh, I.; König, B.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	987
a	11.6434 ± 0.0003 Å
b	10.03245 ± 0.00018 Å
c	20.857 ± 0.0004 Å
α	90°
β	103.161 ± 0.002°
γ	90°
Cell volume	2372.35 ± 0.09 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	4
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	0.0412
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518141.cif
130953	2015-02-04	cif/ Updating files of 1518141 Original log message: Adding full bibliography for 1518141.cif.	1518141.cif
126067	2014-10-31	cif/ Adding structures of 1518141 via cif-deposit CGI script.	1518141.cif