Information card for entry 4116432

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 ų
• 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 Fobs: No