Crystallography Open Database

Information card for entry 4027258

Preview

Coordinates	4027258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N O10
Calculated formula	C17 H25 N O10
SMILES	O([C@@H]1C(NC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C(OC)[C@H]1OC(=O)C)C(=O)C
Title of publication	Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol
Authors of publication	Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	5801 - 5807
a	15.345 ± 0.002 Å
b	11.1876 ± 0.0018 Å
c	12.2187 ± 0.0019 Å
α	90°
β	103.406 ± 0.002°
γ	90°
Cell volume	2040.5 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178451 (current)	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 4/02/72.	4027258.cif
81330	2013-04-15	cif/ Adding structures of 4027258 via cif-deposit CGI script.	4027258.cif