Information card for entry 7236893

Structure parameters

• Chemical name: 1,1,2,2-tetrakis(4-((trimethylsilyl)ethynyl)phenyl)ethene
• Formula: C46 H52 Si4
• Calculated formula: C46 H52 Si4
• Title of publication: Tetrakis(trialkylsilylethynylphenyl)ethenes: mechanofluorochromism arising from steric considerations with an unusual crystal structure
• Authors of publication: Ramachandran, Elumalai; Dhamodharan, Raghavachari
• Journal of publication: J. Mater. Chem. C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 40
• Pages of publication: 10469
• a: 15.856 ± 0.004 Å
• b: 28.435 ± 0.007 Å
• c: 10.3986 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4688.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No