Crystallography Open Database

Information card for entry 7230390

Preview

Coordinates	7230390.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,3-benzoxazine
Chemical name	methyl (E)-3-(2-(2-hydroxyphenyl)-2H-benzo[d][1,3]oxazin-1(4H)-yl)acrylate
Formula	C19 H18 N O3
Calculated formula	C18 H17 N O4
Title of publication	A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds
Authors of publication	Bakthadoss, Manickam; Mushaf, Mohammad
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	22
Pages of publication	12152
a	7.534 ± 0.0005 Å
b	13.2552 ± 0.001 Å
c	15.2014 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1518.08 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
207174 (current)	2018-03-29	cif/ Adding structures of 7230389, 7230390 via cif-deposit CGI script.	7230390.cif