Information card for entry 7035452

Structure parameters

• Formula: C32 H32 O3 Si3
• Calculated formula: C32 H32 O3 Si3
• SMILES: [Si]12(O[Si](O[Si](O1)(C)C)(C)C)C(=C(C(=C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: AEE-active cyclic tetraphenylsilole derivatives with σim 100% solid-state fluorescence quantum efficiency.
• Authors of publication: Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Albright, Haley; Song, Zhegang; Zhang, Chaocan; Tang, Ben Zhong; West, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12970 - 12975
• a: 11.36 ± 0.004 Å
• b: 13.726 ± 0.005 Å
• c: 19.888 ± 0.007 Å
• α: 88.787 ± 0.014°
• β: 86.1 ± 0.02°
• γ: 79.312 ± 0.018°
• Cell volume: 3040.1 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0564
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No