Information card for entry 7207931

Structure parameters

• Formula: C44 H44 O10
• Calculated formula: C44 H44 O10
• SMILES: c1(ccccc1)C1=C([C@@]2(c3c1c(c(c(c3)OC)OC)OC)CCC1=C([C@H](c3ccccc3)c3c(c(c(c2c13)OC)OC)OC)C(=O)OCC)C(=O)OCC.c1(ccccc1)C1=C([C@]2(c3c1c(c(c(c3)OC)OC)OC)CCC1=C([C@@H](c3ccccc3)c3c(c(c(c2c13)OC)OC)OC)C(=O)OCC)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: 19.246 ± 0.003 Å
• b: 23.211 ± 0.005 Å
• c: 17.018 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7602 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.3901
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No