Crystallography Open Database

Information card for entry 1514134

Preview

Coordinates	1514134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 Al F15 N2
Calculated formula	C46 H38 Al F15 N2
SMILES	[Al](Cc1n(c2c(cccc2C(C)C)C(C)C)cc[n+]1c1c(C(C)C)cccc1C(C)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator
Authors of publication	Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing
Journal of publication	Macromolecules
Year of publication	2014
Journal volume	47
Journal issue	6
Pages of publication	1966
a	11.277 ± 0.008 Å
b	11.709 ± 0.008 Å
c	18 ± 0.012 Å
α	105 ± 0.014°
β	103.215 ± 0.013°
γ	102.156 ± 0.014°
Cell volume	2141 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.186
Residual factor for significantly intense reflections	0.1116
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514134.cif
108237	2014-03-29	cif/ Adding structures of 1514134 via cif-deposit CGI script.	1514134.cif