Crystallography Open Database

Information card for entry 7102404

Preview

Coordinates	7102404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 I O5 S
Calculated formula	C10 H13 I O5 S
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	8.0364 ± 0.0004 Å
b	9.0124 ± 0.0005 Å
c	10.0969 ± 0.0006 Å
α	81.281 ± 0.001°
β	76.595 ± 0.001°
γ	67.422 ± 0.001°
Cell volume	655.25 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0162
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0424
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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