Crystallography Open Database

Information card for entry 2004819

2004818 << 2004819 >> 2004820

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C12 H23 Na O13
Calculated formula	C12 H23 Na O13
SMILES	[Na+].O1[C@H]([C@@H]([C@@H](O)[C@H]([C@H]1CO)O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O.O
Title of publication	Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium
Authors of publication	Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1193 - 1198
a	9.2358 ± 0.0009 Å
b	10.4021 ± 0.0006 Å
c	16.7994 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1613.95 ± 0.19 Å³
Cell temperature	293 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 significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0574
Goodness-of-fit parameter for significantly intense reflections	1.358
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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