Crystallography Open Database

Information card for entry 4516695

Preview

Coordinates	4516695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H81 O5 Si Y
Calculated formula	C62 H81 O5 Si Y
SMILES	[Y]123(Oc4c(cc(cc4c4ccccc4)C(C)(C)C)c4c([O]1CCCC[O]2c1c(cccc1)c1c(O3)c(cc(c1)C(C)(C)C)c1ccccc1)cccc4)([O]1CCCC1)C[Si](C)(C)C.CCCCCC
Title of publication	Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts
Authors of publication	Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	8
Pages of publication	4907
a	12.0346 ± 0.0004 Å
b	14.3451 ± 0.0005 Å
c	16.9307 ± 0.0005 Å
α	101.182 ± 0.002°
β	90.368 ± 0.002°
γ	96 ± 0.002°
Cell volume	2850.61 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
239464 (current)	2019-11-24	cif/ Adding structures of 4516695 via cif-deposit CGI script.	4516695.cif