Crystallography Open Database

Information card for entry 7226272

Preview

Coordinates	7226272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N3 O4
Calculated formula	C19 H19 N3 O4
SMILES	c1ccnn1c1c(cccc1)NC(=O)c1c(cc(c(c1)OC)OC)OC
Title of publication	Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group
Authors of publication	J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin
Journal of publication	RSC Adv.
Year of publication	2016
a	10.7611 ± 0.0003 Å
b	13.0931 ± 0.0003 Å
c	12.5506 ± 0.0004 Å
α	90°
β	106.821 ± 0.0011°
γ	90°
Cell volume	1692.67 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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