Crystallography Open Database

Information card for entry 1506182

Preview

Coordinates	1506182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 N5 O5
Calculated formula	C11 H15 N5 O5
SMILES	c1(c(n(cn1)[C@H]1[C@@H]([C@H](O)[C@H](O1)CO)O)N)c1noc(C)n1
Title of publication	N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.
Authors of publication	Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	20
Pages of publication	4565 - 4568
a	6.1879 ± 0.0006 Å
b	6.6386 ± 0.0006 Å
c	30.879 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1268.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.032
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506182.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506182.cif
48068	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506182 via cif-deposit CGI script.	1506182.cif