Information card for entry 7062264

Structure parameters

• Common name: C22Flu
• Chemical name: C22Flu_2EtOH
• Formula: C85 H156 O2 Si2
• Calculated formula: C85 H156 O2 Si2
• SMILES: [Si]123c4cc5c(cc4)c4c(cc([Si](CCCCCCCCCCCCCCCCCCCCCC1)(CCCCCCCCCCCCCCCCCCCCCC2)CCCCCCCCCCCCCCCCCCCCCC3)cc4)C5(C)C.CCO.CCO
• Title of publication: Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl bridged molecular gyrotops: effects of slight fluorophore motion on fluorescence efficiency in the solid state
• Authors of publication: Yoshizawa, Reina; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5946 - 5952
• a: 34.1454 ± 0.0008 Å
• b: 24.909 ± 0.0006 Å
• c: 22.8091 ± 0.0005 Å
• α: 90°
• β: 119.318 ± 0.001°
• γ: 90°
• Cell volume: 16915 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.1921
• Residual factor for significantly intense reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.3924
• Weighted residual factors for all reflections included in the refinement: 0.4429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.434
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No