Crystallography Open Database

Information card for entry 4129220

Preview

Coordinates	4129220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H62 Al Li O4
Calculated formula	C38 H62 Al Li O4
SMILES	[Al]1([O]2[Li]34567([O](C2=C(C)C)C(C)C)[c]2([c]4([cH]5[c]6([cH]7[c]32C(C)(C)C)C)C(C)(C)C)O1)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C
Title of publication	Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.
Authors of publication	Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Journal issue	3
Pages of publication	961 - 974
a	9.119 ± 0.007 Å
b	24.277 ± 0.017 Å
c	17.121 ± 0.012 Å
α	90°
β	93.528 ± 0.016°
γ	90°
Cell volume	3783 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0979
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240002 (current)	2019-11-25	cif/ Adding structures of 4129220 via cif-deposit CGI script.	4129220.cif