Crystallography Open Database

Information card for entry 4026290

Preview

Coordinates	4026290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 I N O3
Calculated formula	C8 H10 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	6.5726 ± 0.0001 Å
b	12.6845 ± 0.0002 Å
c	11.8472 ± 0.0008 Å
α	90°
β	97.126 ± 0.007°
γ	90°
Cell volume	980.07 ± 0.07 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0166
Residual factor for significantly intense reflections	0.0145
Weighted residual factors for all reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0346
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.0008
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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