Crystallography Open Database

Information card for entry 7159793

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Coordinates	7159793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cl2 O2 Se
Calculated formula	C16 H16 Cl2 O2 Se
Title of publication	Electrochemical selenofunctionalization of unactivated alkenes: access to β-hydroxy-selenides
Authors of publication	Dapkekar, Anil Balajirao; Satyanarayana, Gedu
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
Journal volume	22
Journal issue	9
Pages of publication	1775 - 1781
a	9.42 ± 0.0018 Å
b	25.033 ± 0.005 Å
c	7.5118 ± 0.0014 Å
α	90°
β	111.342 ± 0.006°
γ	90°
Cell volume	1649.9 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0775
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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