Information card for entry 7207927

Structure parameters

• Chemical name: Ethyl 4,6-Dimethoxy-1-oxo-3-phenyl-1H-indene-2-carboxylate
• Formula: C20 H18 O5
• Calculated formula: C20 H18 O5
• 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: 12.466 ± 0.004 Å
• b: 19.438 ± 0.006 Å
• c: 7.173 ± 0.003 Å
• α: 90°
• β: 98.53 ± 0.04°
• γ: 90°
• Cell volume: 1718.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.3231
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.3005
• Weighted residual factors for all reflections included in the refinement: 0.3417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No