Crystallography Open Database

Information card for entry 4123885

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Coordinates	4123885.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Title
Formula	C12 H20 Br N3 S
Calculated formula	C12 H20 Br N3 S
Title of publication	Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.
Authors of publication	Talavera, Garazi; Peña, Javier; Alcarazo, Manuel
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	27
Pages of publication	8704 - 8707
a	12.3841 ± 0.0009 Å
b	10.5701 ± 0.0012 Å
c	11.6763 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1528.4 ± 0.3 Å³
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0794
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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