Crystallography Open Database

Information card for entry 1506184

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Structure parameters

Formula	C8 H9 N5 O2
Calculated formula	C8 H9 N5 O2
SMILES	c1[nH]c(c(c2noc(C)n2)n1)NC(=O)C
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	6.9156 ± 0.0004 Å
b	9.5678 ± 0.0006 Å
c	14.8356 ± 0.0009 Å
α	90°
β	97.897 ± 0.002°
γ	90°
Cell volume	972.32 ± 0.1 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506184.cif
176729	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.	1506184.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506184.cif
48070	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506184 via cif-deposit CGI script.	1506184.cif