Crystallography Open Database

Information card for entry 7155293

Preview

Coordinates	7155293.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(4-Fluoro-2-(4-(trifluoromethyl)benzamido)phenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl acetate
Formula	C26 H20 F4 N2 O4
Calculated formula	C26 H20 F4 N2 O4
Title of publication	Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.
Authors of publication	Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	42
Pages of publication	10074 - 10079
a	9.7279 ± 0.0017 Å
b	11.657 ± 0.002 Å
c	22.965 ± 0.004 Å
α	76.436 ± 0.003°
β	80.414 ± 0.003°
γ	70.405 ± 0.003°
Cell volume	2373.9 ± 0.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2363
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188308 (current)	2016-11-08	cif/ Updating files of 7155293, 7155294 Original log message: Adding full bibliography for 7155293--7155294.cif.	7155293.cif
186926	2016-10-05	cif/ Adding structures of 7155293, 7155294 via cif-deposit CGI script.	7155293.cif