Crystallography Open Database

Information card for entry 7112434

Preview

Coordinates	7112434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 O7
Calculated formula	C16 H22 O7
Title of publication	Confirming the existence of π-allyl-palladium intermediates during the reaction of meta photocycloadducts with palladium(II) compounds
Authors of publication	Penkett, Clive S.; Brann, Paul J.; Woolford, Jason A.; Kahan, Rachel J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	11
Pages of publication	1106 - 1108
a	9.0913 ± 0.0005 Å
b	10.8004 ± 0.0004 Å
c	16.2056 ± 0.0009 Å
α	90°
β	91.343 ± 0.002°
γ	90°
Cell volume	1590.79 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0595
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108809
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210828 (current)	2018-09-11	cif/7/ Updating bibliography in entries 7108809, 7112434. Marking entry 7112434 as a duplicate of entry 7108809.	7112434.cif
180238	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/24.	7112434.cif
110082	2014-04-18	cif/ Adding structures of 7112434 via cif-deposit CGI script.	7112434.cif