Crystallography Open Database

Information card for entry 4120667

4120666 << 4120667 >> 4120668

Preview

Coordinates	4120667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 Al Cl2 N2 O2
Calculated formula	C29 H39 Al Cl2 N2 O2
SMILES	Clc1cc2c(O[Al]34(Oc5c(cc(C(C)(C)C)cc5C(C)(C)C)C=[N]3C[C@@H]3[N]4(C2)CCC3)CC)c(Cl)c1
Title of publication	Gradient Isotactic Multiblock Polylactides from Aluminum Complexes of Chiral Salalen Ligands.
Authors of publication	Pilone, Alessia; Press, Konstantin; Goldberg, Israel; Kol, Moshe; Mazzeo, Mina; Lamberti, Marina
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	2940
a	10.136 ± 0.0006 Å
b	10.9801 ± 0.0009 Å
c	25.322 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2818.2 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120667.cif
106658	2014-03-15	cif/ Adding structures of 4120667 via cif-deposit CGI script.	4120667.cif