Crystallography Open Database

Information card for entry 4514484

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Coordinates	4514484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N2 O2 Se
Calculated formula	C13 H18 N2 O2 Se
Title of publication	Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.
Authors of publication	Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	5
Pages of publication	4766 - 4776
a	12.79 ± 0.004 Å
b	7.664 ± 0.002 Å
c	14.298 ± 0.004 Å
α	90°
β	95.515 ± 0.007°
γ	90°
Cell volume	1395 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.078
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219672 (current)	2019-10-28	cif/ Adding structures of 4514484 via cif-deposit CGI script.	4514484.cif