Crystallography Open Database

Information card for entry 7062361

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Coordinates	7062361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Br2 O3 S2
Calculated formula	C8 H6 Br2 O3 S2
Title of publication	Dimerization reactions with oxidized brominated thiophenes
Authors of publication	Youssef, Khaled; Allain, Magali; Cauchy, Thomas; Gohier, Frédéric
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	15
Pages of publication	7375 - 7380
a	25.0891 ± 0.0006 Å
b	9.7366 ± 0.0002 Å
c	9.1903 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2245.03 ± 0.09 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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