Crystallography Open Database

Information card for entry 7058675

Preview

Coordinates	7058675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H9 Cl O2 Se
Calculated formula	C16 H9 Cl O2 Se
Title of publication	Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents
Authors of publication	Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	35
Pages of publication	13751
a	7.7944 ± 0.0008 Å
b	7.9496 ± 0.0007 Å
c	12.1938 ± 0.0011 Å
α	91.575 ± 0.007°
β	105.071 ± 0.008°
γ	110.273 ± 0.009°
Cell volume	678.58 ± 0.12 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
224956 (current)	2019-11-08	cif/ Updating files of 7058669, 7058670, 7058671, 7058672, 7058673, 7058674, 7058675 Original log message: Adding full bibliography for 7058669--7058675.cif.	7058675.cif
217270	2019-07-26	cif/ Adding structures of 7058669, 7058670, 7058671, 7058672, 7058673, 7058674, 7058675 via cif-deposit CGI script.	7058675.cif