Crystallography Open Database

Information card for entry 2012351

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Structure parameters

Chemical name	N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine
Formula	C20 H32 N2 O9
Calculated formula	C20 H32 N2 O9
SMILES	O1[C@@H](\N=C(\N(CC)CC)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C
Title of publication	<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^2^-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)acetamidine
Authors of publication	Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	1297 - 1298
a	10.44 ± 0.002 Å
b	27.647 ± 0.005 Å
c	8.012 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2312.5 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.103
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.182
Goodness-of-fit parameter for all reflections	1.118
Goodness-of-fit parameter for significantly intense reflections	1.099
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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