Information card for entry 7130229

Structure parameters

• Common name: 1-(4-nitrophenyl)pyrene
• Chemical name: 1-(4-nitrophenyl)pyrene
• Formula: C22 H13 N O2
• Calculated formula: C22 H13 N O2
• 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: 9.6037 ± 0.0004 Å
• b: 11.996 ± 0.0005 Å
• c: 13.4769 ± 0.0005 Å
• α: 90°
• β: 97.696 ± 0.004°
• γ: 90°
• Cell volume: 1538.63 ± 0.11 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1513
• 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