Information card for entry 7244046

Structure parameters

• Formula: C19 H15 Br N2 O2
• Calculated formula: C19 H15 Br N2 O2
• 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: 8.5331 ± 0.0006 Å
• b: 9.1322 ± 0.0006 Å
• c: 11.9513 ± 0.001 Å
• α: 77.749 ± 0.006°
• β: 79.907 ± 0.007°
• γ: 65.413 ± 0.007°
• Cell volume: 823.62 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No