Crystallography Open Database

Information card for entry 1557330

Preview

Coordinates	1557330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H33 Al N4 O
Calculated formula	C33.5 H33 Al N4 O
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	12.393 ± 0.002 Å
b	20.309 ± 0.004 Å
c	11.565 ± 0.002 Å
α	90°
β	104.827 ± 0.005°
γ	90°
Cell volume	2813.9 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0765
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
248265 (current)	2020-02-19	cif/ Adding structures of 1557330 via cif-deposit CGI script.	1557330.cif