Crystallography Open Database

Information card for entry 4114127

Preview

Coordinates	4114127.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp*AlI)2.2C6H6
Formula	C42 H49 Al I
Calculated formula	C42 H49 Al I
Title of publication	The [2 + 4] Diels-Alder Cycloadditon Product of a Probable Dialuminene, Ar'AlAlAr' (Ar' = C6H3- 2,6-Dipp2; Dipp = C6H3-2,6-Pri2), with Toluene
Authors of publication	Robert J. Wright; Andrew D. Phillips; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10784 - 10785
a	13.5724 ± 0.0012 Å
b	19.0587 ± 0.0017 Å
c	15.5757 ± 0.0014 Å
α	90°
β	114.603 ± 0.003°
γ	90°
Cell volume	3663.2 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0471
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178912 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/41.	4114127.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114127.cif
67409	2012-09-25	cif/ Adding structures of 4114127 via cif-deposit CGI script.	4114127.cif