Crystallography Open Database

Information card for entry 4028728

Preview

Coordinates	4028728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N O4
Calculated formula	C23 H23 N O4
SMILES	o1c(c(n(Cc2ccccc2)c1=O)/C=C/C(=O)OCCCC)c1ccccc1
Title of publication	Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones
Authors of publication	Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	10894 - 10901
a	5.9205 ± 0.0006 Å
b	11.3365 ± 0.0013 Å
c	29.609 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1987.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1069
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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