Crystallography Open Database

Information card for entry 7124948

Preview

Coordinates	7124948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H61 Al N2 O2
Calculated formula	C38 H61 Al N2 O2
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	13.8779 ± 0.0012 Å
b	13.002 ± 0.0001 Å
c	20.8532 ± 0.0016 Å
α	90°
β	98.2288 ± 0.0008°
γ	90°
Cell volume	3724 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
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	0.0431
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7124948.cif