Crystallography Open Database

Information card for entry 1557241

Preview

Coordinates	1557241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cl4 Se
Calculated formula	C10 H16 Cl4 Se
SMILES	Cl[Se]([C@H]1[C@@H](CCC1)Cl)([C@H]1[C@@H](CCC1)Cl)Cl.Cl[Se]([C@@H]1[C@H](CCC1)Cl)([C@@H]1[C@H](CCC1)Cl)Cl
Title of publication	Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.
Authors of publication	Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2020
Journal volume	25
Journal issue	1
Pages of publication	194
a	20.6655 ± 0.0016 Å
b	6.0655 ± 0.0005 Å
c	14.7555 ± 0.0019 Å
α	90°
β	133.69 ± 0.002°
γ	90°
Cell volume	1337.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
247877 (current)	2020-02-05	cif/ Adding structures of 1557241 via cif-deposit CGI script.	1557241.cif