Crystallography Open Database

Information card for entry 2207889

2207888 << 2207889 >> 2207890

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Coordinates	2207889.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H4 Br2 O4
Calculated formula	C4 H4 Br2 O4
SMILES	Br[C@H]([C@@H](C(=O)O)Br)C(=O)O
Title of publication	(<i>R</i><i>S</i>)-2,3-Dibromosuccinic acid
Authors of publication	Margareta Eriksson; Andreas Fischer; Johan Lind; Åsa Zazzi
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	1
Pages of publication	o200 - o201
a	14.244 ± 0.001 Å
b	5.1664 ± 0.0006 Å
c	11.3736 ± 0.0008 Å
α	90°
β	117.684 ± 0.009°
γ	90°
Cell volume	741.17 ± 0.13 Å³
Cell temperature	298 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	0.0597
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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