Information card for entry 4125542

Structure parameters

• Formula: C18 H26 B2 F2 O4
• Calculated formula: C18 H26 B2 F2 O4
• SMILES: B1(c2c(F)cc(B3OC(C)(C)C(C)(C)O3)c(c2)F)OC(C)(C)C(C)(C)O1
• Title of publication: Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.
• Authors of publication: Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 7
• Pages of publication: 2728 - 2733
• a: 21.544 ± 0.019 Å
• b: 7.164 ± 0.006 Å
• c: 12.564 ± 0.011 Å
• α: 90°
• β: 98.611 ± 0.012°
• γ: 90°
• Cell volume: 1917 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No