Crystallography Open Database

Information card for entry 7028813

Preview

Coordinates	7028813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 Al N O
Calculated formula	C25 H32 Al N O
SMILES	[Al]1(OC2=C(C=[N]1c1c(cccc1C(C)C)C(C)C)CCc1c2cccc1)(C)C
Title of publication	Living ring-opening homo- and copolymerisation of ε-caprolactone and L-lactide by cyclic β-ketiminato aluminium complexes.
Authors of publication	Liu, Yan; Dong, Wei-Shi; Liu, Jing-Yu; Li, Yue-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2244 - 2251
a	9.8106 ± 0.0008 Å
b	14.5843 ± 0.0012 Å
c	17.0062 ± 0.0013 Å
α	90°
β	104.409 ± 0.001°
γ	90°
Cell volume	2356.7 ± 0.3 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 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	0.07
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028813.cif
105434	2014-03-12	cif/ Adding structures of 7028813, 7028814, 7028815 via cif-deposit CGI script.	7028813.cif