Crystallography Open Database

Information card for entry 2005589

2005588 << 2005589 >> 2005590

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Coordinates	2005589.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2(R)-ethoxy-4(R)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-(thiazol-2-yl)-3,4-dihydro-2H-pyrane.
Formula	C21 H31 N O8 S
Calculated formula	C21 H31 N O8 S
SMILES	s1ccnc1C1=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](O1)OCC.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	23.826 ± 0.007 Å
b	10.098 ± 0.004 Å
c	9.881 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2377.3 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0693
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for all reflections	0.0603
Weighted residual factors for significantly intense reflections	0.0497
Goodness-of-fit parameter for all reflections	0.749
Goodness-of-fit parameter for significantly intense reflections	0.904
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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