Crystallography Open Database

Information card for entry 7160379

Preview

Coordinates	7160379.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	OXAZOLE
Chemical name	5-(3,4-dimethoxyphenyl)oxazole
Formula	C24 H24 N O5
Calculated formula	C22 H22 N2 O6
Title of publication	PIDA mediated oxidative annulation of aryl methyl ketones: a facile approach for the chemoselective synthesis of 5-substituted oxazoles.
Authors of publication	Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	12
Pages of publication	2891 - 2895
a	5.6243 ± 0.0002 Å
b	8.6813 ± 0.0004 Å
c	20.6205 ± 0.0009 Å
α	90°
β	91.817 ± 0.002°
γ	90°
Cell volume	1006.32 ± 0.07 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
299140 (current)	2025-04-05	cif/ Updating files of 7160379, 7160380 Original log message: Adding full bibliography for 7160379--7160380.cif.	7160379.cif
297758	2025-02-16	cif/ Adding structures of 7160379, 7160380 via cif-deposit CGI script.	7160379.cif