Information card for entry 7130227

Structure parameters

• Common name: bridged eosin Y
• Chemical name: bridged eosin Y
• Formula: C20 H7 Br3 O5
• Calculated formula: C20 H7 Br3 O5
• SMILES: BrC1=C2c3c(c4c(O2)c(Br)c(O)c(Br)c4)c2ccccc2c(O)c3C(=O)C1=O
• Title of publication: Bridged eosin Y: A visible and near-infrared photoredox catalyst
• Authors of publication: Tanioka, Masaru; Kuromiya, Ayako; Ueda, Rina; Obata, Tohru; Muranaka, Atsuya; Uchiyama, Masanobu; Kamino, Shinichiro
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.9825 ± 0.0004 Å
• b: 9.6307 ± 0.0005 Å
• c: 12.1546 ± 0.0006 Å
• α: 68.286 ± 0.005°
• β: 76.02 ± 0.004°
• γ: 83.671 ± 0.004°
• Cell volume: 842.17 ± 0.08 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 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: 0.0401
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No