Information card for entry 4131422

Structure parameters

• Formula: C91 H106 F6 Si4
• Calculated formula: C91 H106 F6 Si4
• Title of publication: Tuning Singlet Fission in π-Bridge-π Chromophores.
• Authors of publication: Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12488 - 12494
• a: 26.5637 ± 0.0005 Å
• b: 7.89746 ± 0.00009 Å
• c: 41.3109 ± 0.0009 Å
• α: 90°
• β: 106.605 ± 0.002°
• γ: 90°
• Cell volume: 8305 ± 0.3 ų
• Cell temperature: 99.8 ± 0.5 K
• Ambient diffraction temperature: 99.8 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No