Information card for entry 4110521

Structure parameters

• Chemical name: 5-{(E)-2-[4-((E)-2-{1,3-dioxo-2-[3-(triethoxysilyl)propyl]-2,3-dihydro -1H-isoindol-5-yl}vinyl)-2,5-bis(octyloxy)phenyl]vinyl} -2-[3-(triethoxysilyl)propyl]-1H-isoindole-1,3(2H)-dione
• Formula: C60 H88 N2 O12 Si2
• Calculated formula: C60 H88 N2 O12 Si2
• Title of publication: Nanostructuration of Phenylenevinylenediimide-Bridged Silsesquioxane: From Electroluminescent Molecular J-Aggregates to Photoresponsive Polymeric H-Aggregates
• Authors of publication: Olivier J. Dautel; Guillaume Wantz; Robert Almairac; David Flot; Lionel Hirsch; Jean-Pierre Lere-Porte; Jean-Paul Parneix; Françoise Serein-Spirau; Laurence Vignau; Joël J. E. Moreau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4892 - 4901
• a: 18.88 ± 0.005 Å
• b: 10.012 ± 0.002 Å
• c: 16.449 ± 0.003 Å
• α: 90°
• β: 106.9 ± 0.03°
• γ: 90°
• Cell volume: 2975 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.70935 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No