Crystallography Open Database

Information card for entry 4028952

Preview

Coordinates	4028952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H25 N O6
Calculated formula	C14 H25 N O6
SMILES	C1[C@@H]([C@@H]2[C@@H]([C@H](CO)N1C(=O)OC(C)(C)C)OC(C)(C)O2)O
Title of publication	Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol
Authors of publication	Aravind, Appu; Sankar, Muthukumar Gomathi; Varghese, Babu; Baskaran, Sundarababu
Journal of publication	The Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Journal issue	7
Pages of publication	2858 - 2861
a	5.9404 ± 0.0004 Å
b	12.3076 ± 0.0008 Å
c	21.338 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1560.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0278
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178468 (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 4/02/89.	4028952.cif
99148	2014-01-30	cif/ Adding structures of 4028952 via cif-deposit CGI script.	4028952.cif