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Information card for entry 4116432
Preview
Coordinates | 4116432.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,4'-bis[[3'',5''-bis[3''',5'''-bis(benzyloxy)]benzyloxy]phenylethyl]-2,2'-b ipyridine |
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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 Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116432.html
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