Information card for entry 7233840

Structure parameters

• Chemical name: Ethyl 1-oxo-3-phenyl-6-(trifluoromethylsulfonyloxy)-1H-indene-2-carboxylate
• Formula: C19 H13 F3 O6 S
• Calculated formula: C19 H13 F3 O6 S
• 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: 8.626 ± 0.005 Å
• b: 19.658 ± 0.005 Å
• c: 12.099 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.812 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1953.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1819
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No