Crystallography Open Database

Information card for entry 4024216

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Structure parameters

Formula	C11 H7 I N4
Calculated formula	C11 H7 I N4
SMILES	Ic1cccc(c2nnn3c2cccc3)n1
Title of publication	Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines
Authors of publication	Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	163 - 169
a	4.0595 ± 0.0002 Å
b	6.8131 ± 0.0003 Å
c	39.3862 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1089.33 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0323
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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