Information card for entry 1574700

Structure parameters

• Formula: C26 H24 Br N O2
• Calculated formula: C26 H24 Br N O2
• Title of publication: Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy
• Authors of publication: Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11833 - 11840
• a: 12.1999 ± 0.0002 Å
• b: 8.1197 ± 0.0002 Å
• c: 22.711 ± 0.0005 Å
• α: 90°
• β: 103.927 ± 0.001°
• γ: 90°
• Cell volume: 2183.61 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No