Information card for entry 7233841

Structure parameters

• Chemical name: Ethyl 6-(9,9-dimethyl-9H-fluoren-2-yl)-1-oxo-3-phenyl-1H-indene- 2-carboxylate
• Formula: C33 H26 O3
• Calculated formula: C33 H26 O3
• Title of publication: Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest
• Authors of publication: Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 7897 - 7905
• a: 8.9147 ± 0.0003 Å
• b: 11.1228 ± 0.0005 Å
• c: 27.3142 ± 0.0012 Å
• α: 81.073 ± 0.004°
• β: 83.401 ± 0.003°
• γ: 69.003 ± 0.004°
• Cell volume: 2492.74 ± 0.19 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: 0.1222
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No