Crystallography Open Database

Information card for entry 2206746

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Structure parameters

Chemical name	1,2:3,4-Di-O-isopropylidene-α-D-tagatofuranose
Formula	C12 H20 O6
Calculated formula	C12 H20 O6
SMILES	[C@@]12([C@@H]3[C@H]([C@H](O1)CO)OC(O3)(C)C)OC(OC2)(C)C
Title of publication	1,2:3,4-Di-<i>O</i>-isopropylidene-α-<small>D</small>-tagatofuranose
Authors of publication	David J. Watkin; Andreas F. G. Glawar; Raquel Soengas; Ulla P. Skytte; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	o2891 - o2893
a	5.8241 ± 0.0001 Å
b	8.4972 ± 0.0002 Å
c	27.1899 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1345.59 ± 0.05 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Number of distinct elements	3
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	0.0416
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for all reflections	0.087
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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