Crystallography Open Database

Information card for entry 1506866

Preview

Coordinates	1506866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H43 N O2 Si Ti
Calculated formula	C23 H43 N O2 Si Ti
SMILES	[Ti]12345(N(C(C)(C)C)[Si]([c]16[c]2([c]3([c]4([c]56C)C)C)C)(C)C)(OC(=C(C)C)OC(C)C)C
Title of publication	Living and Syndioselective Polymerization of Methacrylates by Constrained Geometry Titanium Alkyl and Enolate Complexes
Authors of publication	Rodriguez-Delgado, Antonio; Mariott, Wesley R.; Chen, Eugene Y.-X.
Journal of publication	Macromolecules
Year of publication	2004
Journal volume	37
Journal issue	9
Pages of publication	3092
a	15.212 ± 0.003 Å
b	9.1575 ± 0.0019 Å
c	18.012 ± 0.004 Å
α	90°
β	90.05 ± 0.004°
γ	90°
Cell volume	2509.1 ± 0.9 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	1506866.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506866.cif
51504	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506866 via cif-deposit CGI script.	1506866.cif