Crystallography Open Database

Information card for entry 1506798

Preview

Coordinates	1506798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H57 Al N2 O2
Calculated formula	C37 H57 Al N2 O2
SMILES	[Al]123(Oc4c(C=[N]2CC(C)(C)C[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)CC
Title of publication	Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex
Authors of publication	Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin
Journal of publication	Biomacromolecules
Year of publication	2004
Journal volume	5
Journal issue	3
Pages of publication	965
a	10.135 ± 0.002 Å
b	17.391 ± 0.004 Å
c	20.788 ± 0.004 Å
α	90°
β	98.25 ± 0.03°
γ	90°
Cell volume	3626.1 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1068
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	1506798.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506798.cif
51363	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506798 via cif-deposit CGI script.	1506798.cif