Crystallography Open Database

Information card for entry 4027766

Preview

Coordinates	4027766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 O3
Calculated formula	C20 H16 O3
Title of publication	The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene
Authors of publication	Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	10949 - 10954
a	17.183 ± 0.002 Å
b	10.897 ± 0.001 Å
c	18.656 ± 0.003 Å
α	90°
β	115.34 ± 0.01°
γ	90°
Cell volume	3157.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.174
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178456 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/77.	4027766.cif
81852	2013-04-17	cif/ Adding structures of 4027766 via cif-deposit CGI script.	4027766.cif