Crystallography Open Database

Information card for entry 1516452

Preview

Coordinates	1516452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 N2 O2
Calculated formula	C36 H42 N2 O2
SMILES	O=C1c2c(O)c(ccc2C=C/C1=C/Nc1c(cccc1C(C)C)C(C)C)/C=N/c1c(cccc1C(C)C)C(C)C
Title of publication	Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene + Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts
Authors of publication	Salata, Michael R.; Marks, Tobin J.
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	6
Pages of publication	1920
a	10.0592 ± 0.0008 Å
b	23.0731 ± 0.0018 Å
c	13.9928 ± 0.0011 Å
α	90°
β	109.435 ± 0.001°
γ	90°
Cell volume	3062.6 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1516452.cif
114875	2014-05-29	cif/ Adding structures of 1516452 via cif-deposit CGI script.	1516452.cif