Information card for entry 7133101

Structure parameters

• Common name: carbonyl-bridged rhodol
• Chemical name: 1c
• Formula: C28 H16 F3 N O3
• Calculated formula: C28 H16 F3 N O3
• SMILES: FC(F)(F)CN(c1ccccc1)c1cc2c3C(c4c(C2=O)cccc4)=C2C(Oc3c1)=CC(=O)C=C2
• Title of publication: Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols.
• Authors of publication: Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 50
• Pages of publication: 6407 - 6410
• a: 10.994 ± 0.0003 Å
• b: 11.0404 ± 0.0003 Å
• c: 17.6631 ± 0.0004 Å
• α: 83.512 ± 0.002°
• β: 80.77 ± 0.002°
• γ: 72.972 ± 0.003°
• Cell volume: 2018.43 ± 0.1 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No