Crystallography Open Database

Information card for entry 4107194

Preview

Coordinates	4107194.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7
Formula	C40 H63 N2 O2 Si Y
Calculated formula	C40 H63 N2 O2 Si Y
SMILES	[Y]12([O]3CCCC3)([O]3CCCC3)(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C](=C)=C2[Si](C)(C)C
Title of publication	End-Functionalized Polymerization of 2-Vinylpyridine through Initial C-H Bond Activation of N-Heteroaromatics and Internal Alkynes by Yttrium Ene-Diamido Complexes
Authors of publication	Hiroshi Kaneko; Haruki Nagae; Hayato Tsurugi; Kazushi Mashima
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	19626 - 19629
a	9.0591 ± 0.0004 Å
b	17.7788 ± 0.0009 Å
c	24.8997 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4010.3 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
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	0.0721
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178817 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/71.	4107194.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107194.cif
54846	2012-04-30	cif/ Adding structures of 4107194 via cif-deposit CGI script.	4107194.cif