Crystallography Open Database

Information card for entry 7059016

Preview

Coordinates	7059016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11.98 H15.55 O3 Se
Calculated formula	C11.982 H15.548 O3 Se
Title of publication	A novel methodology for the synthesis of condensed selenium heterocycles based on the annulation and annulation − methoxylation reactions of selenium dihalides
Authors of publication	Musalov, Maxim V.; Yakimov, Vladimir A.; Potapov, Vladimir A.; Amosova, Svetlana V.; Borodina, Tatiana; Zinchenko, Sergey V.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	47
Pages of publication	18476 - 18483
a	12.3669 ± 0.0006 Å
b	6.1164 ± 0.0003 Å
c	15.6194 ± 0.0007 Å
α	90°
β	91.018 ± 0.002°
γ	90°
Cell volume	1181.28 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0321
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7059016.cif
223443	2019-11-07	cif/ Adding structures of 7059015, 7059016 via cif-deposit CGI script.	7059016.cif