Information card for entry 4123697

Structure parameters

• Formula: C50 H66 Si2
• Calculated formula: C50 H66 Si2
• Title of publication: Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.
• Authors of publication: Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 21
• Pages of publication: 6790 - 6803
• a: 5.8978 ± 0.0002 Å
• b: 14.1866 ± 0.0004 Å
• c: 26.4214 ± 0.0008 Å
• α: 78.673 ± 0.002°
• β: 84.728 ± 0.002°
• γ: 84.507 ± 0.002°
• Cell volume: 2151.6 ± 0.12 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.1459
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2692
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No