Crystallography Open Database

Information card for entry 4514485

Preview

Coordinates	4514485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 N2 O Se
Calculated formula	C11 H14 N2 O Se
SMILES	[Se]=C1N(c2c(N1C)cccc2)CCOC
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	7.2756 ± 0.0004 Å
b	15.23 ± 0.0007 Å
c	10.5556 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1169.64 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219673 (current)	2019-10-28	cif/ Adding structures of 4514485 via cif-deposit CGI script.	4514485.cif