Crystallography Open Database

Information card for entry 4338253

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Structure parameters

Formula	C19 H19 N O5
Calculated formula	C19 H19 N O5
SMILES	O=C(OCC)c1cc(/N=C/c2ccccc2O)cc(c1)C(=O)OCC
Title of publication	A Schiff Base and Its Copper(II) Complex as a Highly Selective Chemodosimeter for Mercury(II) Involving Preferential Hydrolysis of Aldimine over an Ester Group.
Authors of publication	Kumar, Ashish; Dubey, Mrigendra; Pandey, Rampal; Gupta, Rakesh Kumar; Kumar, Amit; Kalita, Alok Ch; Pandey, Daya Shankar
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	4944 - 4955
a	7.616 ± 0.002 Å
b	13.133 ± 0.005 Å
c	16.922 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1692.6 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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