Information card for entry 7244045

Structure parameters

• Formula: C18 H13 N3
• Calculated formula: C18 H13 N3
• Title of publication: Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings
• Authors of publication: Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 837 - 845
• a: 10.9525 ± 0.0003 Å
• b: 12.9657 ± 0.0004 Å
• c: 20.7069 ± 0.0007 Å
• α: 90°
• β: 103.542 ± 0.003°
• γ: 90°
• Cell volume: 2858.77 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No