Crystallography Open Database

Information card for entry 1516155

Preview

Coordinates	1516155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 Al4 N2 O2
Calculated formula	C24 H46 Al4 N2 O2
SMILES	[Al]1([NH]([Al]([NH]1c1ccc([O]([Al](C)(C)C)C)cc1)(C)C)c1ccc([O]([Al](C)(C)C)C)cc1)(C)C
Title of publication	Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)
Authors of publication	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl
Journal of publication	Catalysis Science & Technology
Year of publication	2014
Journal volume	4
Journal issue	9
Pages of publication	3025
a	7.361 ± 0.0009 Å
b	10.0951 ± 0.0012 Å
c	10.6561 ± 0.0014 Å
α	103.037 ± 0.01°
β	95.097 ± 0.01°
γ	96.205 ± 0.01°
Cell volume	761.67 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.078
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	0.859
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.	1516155.cif
121560	2014-08-08	cif/ Updating files of 1516155, 1516156, 1516157 Original log message: Adding full bibliography for 1516155--1516157.cif.	1516155.cif
114030	2014-05-21	cif/ Adding structures of 1516155, 1516156, 1516157 via cif-deposit CGI script.	1516155.cif