Crystallography Open Database

Information card for entry 4026288

Preview

Coordinates	4026288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 I N O3
Calculated formula	C5 H6 I N O3
Title of publication	Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents
Authors of publication	Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3812 - 3819
a	6.2624 ± 0.0007 Å
b	14.4474 ± 0.0016 Å
c	8.0465 ± 0.0009 Å
α	90°
β	107.326 ± 0.001°
γ	90°
Cell volume	694.98 ± 0.13 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for all reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0337
Weighted residual factors for all reflections included in the refinement	0.0329
Goodness-of-fit parameter for all reflections included in the refinement	1.0552
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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