Information card for entry 7126545

Structure parameters

• Formula: C28 H44 Br2 O2 S2 Si2
• Calculated formula: C28 H44 Br2 O2 S2 Si2
• Title of publication: Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.
• Authors of publication: Tani, Yosuke; Komura, Mao; Ogawa, Takuji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 50
• Pages of publication: 6810 - 6813
• a: 12.2294 ± 0.0016 Å
• b: 9.613 ± 0.0012 Å
• c: 28.292 ± 0.004 Å
• α: 90°
• β: 93.195 ± 0.003°
• γ: 90°
• Cell volume: 3320.9 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No