Information card for entry 1571785

Structure parameters

• Formula: C34 H56 Br2 O2 S2 Si2
• Calculated formula: C34 H56 Br2 O2 S2 Si2
• Title of publication: Fast, efficient, narrowband room-temperature phosphorescence from metal-free 1,2-diketones: rational design and the mechanism.
• Authors of publication: Tani, Yosuke; Miyata, Kiyoshi; Ou, Erika; Oshima, Yuya; Komura, Mao; Terasaki, Morihisa; Kimura, Shuji; Ehara, Takumi; Kubo, Koki; Onda, Ken; Ogawa, Takuji
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 10784 - 10793
• a: 9.4163 ± 0.0004 Å
• b: 10.5452 ± 0.0005 Å
• c: 10.6006 ± 0.0005 Å
• α: 76.484 ± 0.004°
• β: 77.312 ± 0.004°
• γ: 76.71 ± 0.004°
• Cell volume: 980.61 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No