Crystallography Open Database

Information card for entry 1557329

Preview

Coordinates	1557329.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1:1 rac-LA:L7AlOBn
Formula	C37 H40 Al Cl2 N4 O5
Calculated formula	C37 H39.076 Al Cl2 N4 O5
Title of publication	Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands
Authors of publication	Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B.
Journal of publication	Macromolecules
Year of publication	2020
a	10.6552 ± 0.001 Å
b	12.4511 ± 0.0012 Å
c	14.8269 ± 0.0016 Å
α	100.087 ± 0.004°
β	96.082 ± 0.004°
γ	90.524 ± 0.004°
Cell volume	1925 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
248264 (current)	2020-02-19	cif/ Adding structures of 1557329 via cif-deposit CGI script.	1557329.cif