Information card for entry 1554347

Structure parameters

• Formula: C11 H10 N O
• Calculated formula: C11.6 H8.6 N0.8 O1.6
• Title of publication: Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect
• Authors of publication: Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2296
• a: 21.194 ± 0.005 Å
• b: 8.4619 ± 0.0012 Å
• c: 27.57 ± 0.01 Å
• α: 90°
• β: 109.98 ± 0.03°
• γ: 90°
• Cell volume: 4647 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.3157
• Residual factor for significantly intense reflections: 0.1526
• Weighted residual factors for significantly intense reflections: 0.3538
• Weighted residual factors for all reflections included in the refinement: 0.4478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No