Crystallography Open Database

Information card for entry 4084083

Preview

Coordinates	4084083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 Al Cl2 O3
Calculated formula	C26 H35 Al Cl2 O3
SMILES	[Al]1(Oc2c(cc(Cl)c(c2Cc2c(c(Cl)cc(c2O1)C(C)C)C)C)C(C)C)([O]1CCCC1)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	11.7481 ± 0.0019 Å
b	19.09 ± 0.003 Å
c	12.86 ± 0.002 Å
α	90°
β	110.201 ± 0.003°
γ	90°
Cell volume	2706.7 ± 0.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1203
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1957
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	4084083.cif
120814	2014-07-26	cif/ Adding structures of 4084083, 4084084, 4084085, 4084086, 4084087 via cif-deposit CGI script.	4084083.cif