Information card for entry 4110520

Structure parameters

• Common name: ImPV
• Formula: C54 H68 N2 O6
• Calculated formula: C54 H68 N2 O6
• SMILES: c1c(c(cc(c1/C=C/c1cc2c(cc1)C(=O)N(C2=O)C1CCCCC1)OCCCCCCCC)/C=C/c1cc2c(cc1)C(=O)N(C2=O)C1CCCCC1)OCCCCCCCC
• 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: 27.185 ± 0.016 Å
• b: 5.257 ± 0.001 Å
• c: 35.097 ± 0.007 Å
• α: 90°
• β: 112.327 ± 0.011°
• γ: 90°
• Cell volume: 4640 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.873 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No