Crystallography Open Database

Information card for entry 7111621

Preview

Coordinates	7111621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H62.56 Al N4 O0.43
Calculated formula	C39.4962 H62.5662 Al N4 O0.4315
Title of publication	Aluminium-catalyzed intramolecular hydroamination of aminoalkenes
Authors of publication	Koller, Jürgen; Bergman, Robert G.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4577 - 4579
a	26.378 ± 0.005 Å
b	25.722 ± 0.005 Å
c	28.451 ± 0.005 Å
α	90°
β	116.98 ± 0.003°
γ	90°
Cell volume	17203 ± 6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
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	0.169
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2335
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111621.cif
96705	2014-01-29	cif/ Adding structures of 7111621 via cif-deposit CGI script.	7111621.cif