Information card for entry 7130228

Structure parameters

• Common name: 9-(4-nitrophenyl)anthracene
• Chemical name: 9-(4-nitrophenyl)anthracene
• Formula: C20 H13 N O2
• Calculated formula: C20 H13 N O2
• SMILES: O=N(=O)c1ccc(c2c3c(cc4c2cccc4)cccc3)cc1
• 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: 16.1681 ± 0.0005 Å
• b: 8.098 ± 0.0002 Å
• c: 22.381 ± 0.0007 Å
• α: 90°
• β: 98.728 ± 0.003°
• γ: 90°
• Cell volume: 2896.39 ± 0.15 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 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: 0.0347
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No