Crystallography Open Database

Information card for entry 2005590

2005589 << 2005590 >> 2005591

Preview

Coordinates	2005590.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.
Formula	C19 H28 O8
Calculated formula	C19 H28 O8
SMILES	O1C(=C[C@@H]([C@H]2O[C@@H]3OC(O[C@@H]3[C@H]3OC(O[C@@H]23)(C)C)(C)C)C[C@@H]1OCC)C=O
Title of publication	Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives
Authors of publication	Ianelli, S.; Nardelli, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2853 - 2857
a	17.339 ± 0.004 Å
b	16.43 ± 0.005 Å
c	7.222 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2057.4 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.092
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for all reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0409
Goodness-of-fit parameter for all reflections	0.638
Goodness-of-fit parameter for significantly intense reflections	0.797
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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