Crystallography Open Database

Information card for entry 7058674

Preview

Coordinates	7058674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 O2 Se
Calculated formula	C16 H10 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	8.3211 ± 0.0006 Å
b	22.004 ± 0.0012 Å
c	6.9051 ± 0.0005 Å
α	90°
β	98.333 ± 0.007°
γ	90°
Cell volume	1250.96 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.1064
Weighted residual factors for significantly intense reflections	0.2508
Weighted residual factors for all reflections included in the refinement	0.2654
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7058674.cif
217270	2019-07-26	cif/ Adding structures of 7058669, 7058670, 7058671, 7058672, 7058673, 7058674, 7058675 via cif-deposit CGI script.	7058674.cif