Crystallography Open Database

Information card for entry 4084086

Preview

Coordinates	4084086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 Al2 Cl2 O4
Calculated formula	C29 H44 Al2 Cl2 O4
SMILES	[Al]12([O](C(C)C)[Al]([O]2C(C)C)(C)C)Oc2c(cc(Cl)c(c2Cc2c(c(Cl)cc(c2O1)C(C)C)C)C)C(C)C
Title of publication	Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones
Authors of publication	Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	24
Pages of publication	5076
a	12.9152 ± 0.0009 Å
b	13.7773 ± 0.0011 Å
c	19.8008 ± 0.0015 Å
α	85.655 ± 0.002°
β	78.988 ± 0.002°
γ	74.633 ± 0.002°
Cell volume	3333.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1168
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178729 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40.	4084086.cif
170212	2015-11-09	cif/4: Fixing some Z values and formulae.	4084086.cif
120814	2014-07-26	cif/ Adding structures of 4084083, 4084084, 4084085, 4084086, 4084087 via cif-deposit CGI script.	4084086.cif