Crystallography Open Database

Information card for entry 1505122

Preview

Coordinates	1505122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Al Cl4 N2 O2
Calculated formula	C18 H15 Al Cl4 N2 O2
SMILES	[Al]123([N](=Cc4cc(Cl)cc(Cl)c4O2)CC[N]1=Cc1cc(Cl)cc(Cl)c1O3)CC
Title of publication	Polymerization ofrac-Lactide Using Schiff Base Aluminum Catalysts: Structure, Activity, and Stereoselectivity
Authors of publication	Du, Hongzhi; Pang, Xuan; Yu, Haiyang; Zhuang, Xiuli; Chen, Xuesi; Cui, Dongmei; Wang, Xianhong; Jing, Xiabin
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	6
Pages of publication	1904
a	13.4404 ± 0.001 Å
b	14.5891 ± 0.001 Å
c	10.7266 ± 0.0008 Å
α	90°
β	112.879 ± 0.001°
γ	90°
Cell volume	1937.8 ± 0.2 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1505122.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505122.cif
45362	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505122 via cif-deposit CGI script.	1505122.cif