Information card for entry 7207932

Structure parameters

• Formula: C44 H44 O10
• Calculated formula: C44 H44 O10
• SMILES: [C@]12(C(=C(c3ccccc3)c3c(c(c(cc13)OC)OC)OC)C(=O)OCC)CC[C@@H]1C(=C(c3ccccc3)c3c(c(c(c2c13)OC)OC)OC)C(=O)OCC.[C@@]12(C(=C(c3ccccc3)c3c(c(c(cc13)OC)OC)OC)C(=O)OCC)CC[C@H]1C(=C(c3ccccc3)c3c(c(c(c2c13)OC)OC)OC)C(=O)OCC
• Title of publication: Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives
• Authors of publication: Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 19
• Pages of publication: 9611
• a: 11.914 Å
• b: 18.91 Å
• c: 20.176 Å
• α: 63.59°
• β: 82.53°
• γ: 74.28°
• Cell volume: 3918.62 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No