Crystallography Open Database

Information card for entry 1512020

1512019 << 1512020 >> 1512021

Preview

Coordinates	1512020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Lu N3 O2 Si2
Calculated formula	C32 H50 Lu N3 O2 Si2
SMILES	[Lu]12([N]3[C@H](COC=3c3ccccc3N1c1ccccc1C1=[N]2[C@H](CO1)C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand
Authors of publication	Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang
Journal of publication	Macromolecules
Year of publication	2013
Journal volume	46
Journal issue	9
Pages of publication	3257
a	16.701 ± 0.002 Å
b	11.1116 ± 0.0014 Å
c	19.871 ± 0.002 Å
α	90°
β	102.454 ± 0.002°
γ	90°
Cell volume	3600.8 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2786
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512020.cif
91929	2013-12-27	cif/1/51/ (saulius@koala.ibt.lt) Fixing publication title in '20/1512020.cif', '20/1512021.cif' and '20/1512022.cif'.	1512020.cif
87170	2013-07-14	cif/ Adding structures of 1512020, 1512021, 1512022 via cif-deposit CGI script.	1512020.cif