Crystallography Open Database

Information card for entry 4034110

Preview

Coordinates	4034110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.38 H26.75 Cl0.75 I N O7
Calculated formula	C23.373 H26.746 Cl0.747 I N O7
Title of publication	Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.
Authors of publication	Hokamp, Tobias; Wirth, Thomas
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	13
Pages of publication	8674 - 8682
a	23.5783 ± 0.0005 Å
b	23.5783 ± 0.0005 Å
c	8.8815 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4937.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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