Crystallography Open Database

Information card for entry 7151168

Preview

Coordinates	7151168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 I N4 O
Calculated formula	C13 H15 I N4 O
Title of publication	Synthesis of 4-substituted-1,2,3-triazole carbanucleoside analogues of ribavirin via click chemistry.
Authors of publication	Pérez-Castro, Isabel; Caamaño, Olga; Fernández, Franco; García, Marcos D; López, Carmen; De Clercq, Erik
Journal of publication	Organic & biomolecular chemistry
Year of publication	2007
Journal volume	5
Journal issue	23
Pages of publication	3805 - 3813
a	7.4415 ± 0.0013 Å
b	21.445 ± 0.004 Å
c	8.9163 ± 0.0015 Å
α	90°
β	104.154 ± 0.002°
γ	90°
Cell volume	1379.7 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0389
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180297 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/11.	7151168.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151168.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151168.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7151168.cif