Crystallography Open Database

Information card for entry 2214491

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Structure parameters

Chemical name	Bis(3-deoxy-1,2-<i>O</i>-isopropylidene-α-D-glucofuranos-3-yl) disulfide
Formula	C18 H30 O10 S2
Calculated formula	C18 H30 O10 S2
SMILES	S(S[C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@H](O)CO)(C)C)[C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@H](O)CO)(C)C
Title of publication	Bis(3-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranos-3-yl) disulfide
Authors of publication	Luboradzki, Roman; Pakulski, Zbigniew
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3573 - o3573
a	8.7266 ± 0.0001 Å
b	14.4778 ± 0.0004 Å
c	17.8606 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2256.54 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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