Crystallography Open Database

Information card for entry 4029425

Preview

Coordinates	4029425.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C-2 deoxy Glycoside
Chemical name	Bboc-protected iodo sugar
Formula	C20 H29 I N O11
Calculated formula	C20 H29 I N O11
SMILES	I[C@@H]1[C@H](O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C
Title of publication	Hypervalent iodine mediated synthesis of C-2 deoxy glycosides and amino Acid glycoconjugates.
Authors of publication	Islam, Maidul; Tirukoti, Nishanth D.; Nandi, Shyamapada; Hotha, Srinivas
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	10
Pages of publication	4470 - 4476
a	9.1343 ± 0.0007 Å
b	6.8955 ± 0.0005 Å
c	20.2243 ± 0.0015 Å
α	90°
β	91.191 ± 0.002°
γ	90°
Cell volume	1273.56 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178473 (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 4/02/94.	4029425.cif
115850	2014-06-05	cif/ Updating files of 4029425 Original log message: Adding full bibliography for 4029425.cif.	4029425.cif
112884	2014-05-06	cif/ Adding structures of 4029425 via cif-deposit CGI script.	4029425.cif