Crystallography Open Database

Information card for entry 7102403

Preview

Coordinates	7102403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 I O4
Calculated formula	C10 H11 I O4
Title of publication	Preparation and structure of 2-iodoxybenzoate esters: soluble and stable periodinane oxidizing reagents.
Authors of publication	Zhdankin, Viktor V; Litvinov, Dmitry N; Koposov, Alexey Y; Luu, Thanh; Ferguson, Michael J; McDonald, Robert; Tykwinski, Rik R
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	1
Pages of publication	106 - 107
a	9.6939 ± 0.0006 Å
b	10.5225 ± 0.0007 Å
c	11.2574 ± 0.0007 Å
α	96.658 ± 0.001°
β	94.913 ± 0.001°
γ	105.585 ± 0.001°
Cell volume	1090.4 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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