Crystallography Open Database

Information card for entry 4129219

Preview

Coordinates	4129219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H8 Al F15 O2
Calculated formula	C23 H8 Al F15 O2
SMILES	[Al]([O]=C(OC)C(=C)C)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
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	18.284 ± 0.014 Å
b	12.623 ± 0.01 Å
c	20.466 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	4724 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.632
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
240001 (current)	2019-11-25	cif/ Adding structures of 4129219 via cif-deposit CGI script.	4129219.cif