Crystallography Open Database

Information card for entry 4116432

Preview

Coordinates	4116432.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,4'-bis[[3'',5''-bis[3''',5'''-bis(benzyloxy)]benzyloxy]phenylethyl]-2,2'-b ipyridine
Formula	C110 H96 N2 O12
Calculated formula	C110 H96 N2 O12
SMILES	c1cnc(c2cc(ccn2)CCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc1CCc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
Title of publication	Dendrimers with a Photoactive and Redox-Active [Ru(bpy)3]2±Type Core: Photophysical Properties, Electrochemical Behavior, and Excited-State Electron-Transfer Reactions
Authors of publication	Fritz Vögtle; Marcus Plevoets; Martin Nieger; Gianluca C. Azzellini; Alberto Credi; Luisa De Cola; Valeria De Marchis; Margherita Venturi; Vincenzo Balzani
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	6290 - 6298
a	10.096 ± 0.001 Å
b	11.27 ± 0.001 Å
c	20.127 ± 0.001 Å
α	81.47 ± 0.01°
β	75.94 ± 0.01°
γ	73.4 ± 0.01°
Cell volume	2121.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0708
Goodness-of-fit parameter for all reflections	0.763
Goodness-of-fit parameter for significantly intense reflections	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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