Crystallography Open Database

Information card for entry 1508551

Preview

Coordinates	1508551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Al2 N2 O4
Calculated formula	C28 H36 Al2 N2 O4
SMILES	[Al]123([O]([Al]45([O]1C[C@H]([N]5=C(C)C=C(O4)C)c1ccccc1)C)C[C@H]([N]3=C(C=C(O2)C)C)c1ccccc1)C
Title of publication	Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator
Authors of publication	Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi
Journal of publication	Macromolecules
Year of publication	2012
Journal volume	45
Journal issue	20
Pages of publication	8172
a	9.0425 ± 0.0015 Å
b	14.736 ± 0.002 Å
c	20.513 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2733.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.159
Residual factor for significantly intense reflections	0.111
Weighted residual factors for significantly intense reflections	0.2644
Weighted residual factors for all reflections included in the refinement	0.2921
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	1508551.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508551.cif
72050	2013-01-21	cif/ Adding structures of 1508551, 1508552 via cif-deposit CGI script.	1508551.cif