Crystallography Open Database

Information card for entry 4107903

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Structure parameters

Formula	C33 H25 N3
Calculated formula	C33 H25 N3
SMILES	N1=C2C(=Nc3c(CCc4nc(CCc5c1cccc5)ccc4)cccc3)c1cccc3cccc2c13
Title of publication	Axial Donating Ligands: A New Strategy for Late Transition Metal Olefin Polymerization Catalysis
Authors of publication	Dennis H. Leung; Joseph W. Ziller; Zhibin Guan
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7538 - 7539
a	10.818 ± 0.001 Å
b	13.2984 ± 0.0012 Å
c	16.557 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2381.9 ± 0.4 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	3
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	0.0677
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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