Crystallography Open Database

Information card for entry 1508550

Preview

Coordinates	1508550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Al Cl4 N
Calculated formula	C16 H36 Al Cl4 N
SMILES	Cl[Al](Cl)(Cl)[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers
Authors of publication	Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito
Journal of publication	Macromolecules
Year of publication	2012
Journal volume	45
Journal issue	19
Pages of publication	7749
a	18.2479 ± 0.0006 Å
b	11.5043 ± 0.0004 Å
c	11.3089 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2374.07 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71075 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.	1508550.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508550.cif
72049	2013-01-21	cif/ Adding structures of 1508549, 1508550 via cif-deposit CGI script.	1508550.cif