Information card for entry 7126553

Structure parameters

• Formula: C28 H45 Br O2 S2 Si2
• Calculated formula: C28 H44.674 Br 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: 12.3126 ± 0.0017 Å
• b: 9.505 ± 0.0012 Å
• c: 27.815 ± 0.004 Å
• α: 90°
• β: 92.26 ± 0.003°
• γ: 90°
• Cell volume: 3252.7 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No