Crystallography Open Database

Information card for entry 4038344

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Coordinates	4038344.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	methylene phenyl phenylselanyl selenochromene
Chemical name	4-methylene-2-phenyl-3-(phenylselanyl)-4H-selenochromene
Formula	C22 H16 Se2
Calculated formula	C22 H16 Se2
Title of publication	Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.
Authors of publication	Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	7.0078 ± 0.0004 Å
b	9.6334 ± 0.0006 Å
c	13.8589 ± 0.0008 Å
α	110.327 ± 0.002°
β	92.316 ± 0.002°
γ	96.373 ± 0.002°
Cell volume	868.78 ± 0.09 Å³
Cell temperature	127 ± 2 K
Ambient diffraction temperature	127 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
251989 (current)	2020-05-13	cif/ Adding structures of 4038344 via cif-deposit CGI script.	4038344.cif