Crystallography Open Database

Information card for entry 7124949

Preview

Coordinates	7124949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H61 Al N2 O3
Calculated formula	C43 H61 Al N2 O3
Title of publication	Aluminium salalens vs. salans: "Initiator Design" for the isoselective polymerisation of rac-lactide.
Authors of publication	McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	68
Pages of publication	10431 - 10434
a	10.9794 ± 0.0003 Å
b	14.2923 ± 0.0004 Å
c	15.1168 ± 0.0005 Å
α	115.692 ± 0.003°
β	100.605 ± 0.003°
γ	102.864 ± 0.002°
Cell volume	1974.85 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234374 (current)	2019-11-23	cif/ Adding structures of 7124946, 7124947, 7124948, 7124949 via cif-deposit CGI script.	7124949.cif