Crystallography Open Database

Information card for entry 4113257

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Structure parameters

Formula	C13 H20 Cl N O5
Calculated formula	C13 H20 Cl N O5
SMILES	N(C(=O)O[C@@H]1[C@@H](Cl)C=C2COC(O[C@H]2[C@@H]1O)(C)C)(C)C
Title of publication	Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors
Authors of publication	Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15990 - 15992
a	10.73 ± 0.005 Å
b	10.766 ± 0.005 Å
c	52.83 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	6103 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4113257.cif
178903	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32.	4113257.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113257.cif
65682	2012-09-06	cif/ Adding structures of 4113257 via cif-deposit CGI script.	4113257.cif