Information card for entry 1576966

Structure parameters

• Formula: C34 H38 S2 Si2
• Calculated formula: C34 H38 S2 Si2
• Title of publication: Aggregation favors singlet formation in TES-ADT triplet annihilator for photon upconversion.
• Authors of publication: Lekavičius, Justas; Radiunas, Edvinas; Kreiza, Gediminas; Jozeliūnaitė, Augustina; Orentas, Edvinas; Kazlauskas, Karolis
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 6230 - 6237
• a: 6.9092 ± 0.0002 Å
• b: 7.4194 ± 0.0002 Å
• c: 16.6957 ± 0.0005 Å
• α: 96.226 ± 0.002°
• β: 91.986 ± 0.002°
• γ: 106.077 ± 0.002°
• Cell volume: 815.66 ± 0.04 ų
• Cell temperature: 300.1 ± 0.7 K
• Ambient diffraction temperature: 300.1 ± 0.7 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.3878
• Weighted residual factors for all reflections included in the refinement: 0.3991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.865
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No