Crystallography Open Database

Information card for entry 4022047

4022046 << 4022047 >> 4022048

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Coordinates	4022047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 I O3
Calculated formula	C9 H11 I O3
Title of publication	2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents
Authors of publication	Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	8452 - 8458
a	6.2665 ± 0.0015 Å
b	13.0901 ± 0.0015 Å
c	12.7349 ± 0.0017 Å
α	90°
β	102.746 ± 0.014°
γ	90°
Cell volume	1018.9 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
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	0.0415
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for all reflections	0.1051
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	0.8219
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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