Crystallography Open Database

Information card for entry 1505121

Preview

Coordinates	1505121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Al Cl4 N2 O3
Calculated formula	C22 H23 Al Cl4 N2 O3
SMILES	[Al]123([N](=Cc4c(c(cc(c4)Cl)Cl)O2)CC(C[N]1=Cc1c(c(cc(c1)Cl)Cl)O3)(C)C)OC(C)C
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	13.7448 ± 0.0018 Å
b	17.259 ± 0.002 Å
c	21.561 ± 0.003 Å
α	90°
β	107.278 ± 0.002°
γ	90°
Cell volume	4883.9 ± 1.1 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1505121.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505121.cif
45361	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505121 via cif-deposit CGI script.	1505121.cif