Crystallography Open Database

Information card for entry 7219366

7219365 << 7219366 >> 7219367

Preview

Coordinates	7219366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 I O4
Calculated formula	C20 H21 I O4
SMILES	[I](c1ccccc1C(O)(C)C)=C(C(=O)c1ccccc1)C(=O)OCC
Title of publication	Preparation of iodonium ylides: Probing the fluorination of 1,3-dicarbonyl compounds with a fluoroiodane
Authors of publication	Geary, Gemma C.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.
Journal of publication	RSC Adv.
Year of publication	2015
a	15.062 ± 0.003 Å
b	8.1555 ± 0.0015 Å
c	15.606 ± 0.003 Å
α	90°
β	104.717 ± 0.004°
γ	90°
Cell volume	1854.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0841
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	0.869
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219366.cif
130083	2015-01-23	cif/ Adding structures of 7219366 via cif-deposit CGI script.	7219366.cif