Crystallography Open Database

Information card for entry 4026942

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Structure parameters

Formula	C20 H25 N O10
Calculated formula	C20 H25 N O10
SMILES	O1[C@@H](ON(C(=O)C)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](O)[C@H]1COC(=O)C
Title of publication	Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids
Authors of publication	Akiko Baba; Tadao Yoshioka
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	1675 - 1684
a	8.655 ± 0.003 Å
b	11.543 ± 0.004 Å
c	12.702 ± 0.004 Å
α	63.88 ± 0.03°
β	70.64 ± 0.03°
γ	89.42 ± 0.03°
Cell volume	1061.1 ± 0.7 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4026942.cif
178448	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/69.	4026942.cif
81007	2013-04-13	cif/ Adding structures of 4026942 via cif-deposit CGI script.	4026942.cif