Crystallography Open Database

Information card for entry 1505120

Preview

Coordinates	1505120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Al Cl4 N2 O2
Calculated formula	C21 H21 Al Cl4 N2 O2
SMILES	[Al]123(CC)[N](=Cc4c(c(cc(c4)Cl)Cl)O2)CC(C)(C)C[N]1=Cc1c(c(cc(c1)Cl)Cl)O3
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	11.3955 ± 0.0008 Å
b	17.6046 ± 0.0011 Å
c	11.5904 ± 0.0008 Å
α	90°
β	99.763 ± 0.001°
γ	90°
Cell volume	2291.5 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	1505120.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505120.cif
45360	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505120 via cif-deposit CGI script.	1505120.cif