Information card for entry 1576888

Structure parameters

• Formula: C18 H11 Br2 N O2
• Calculated formula: C18 H11 Br2 N O2
• Title of publication: Site-selective bromination of anthracene–maleimide Diels–Alder crystals for tunable afterglow and white light emission
• Authors of publication: Yang, Guangxin; Zhu, Tianwen; Chen, Xiang; Duan, Junhao; Zhao, Zhipeng; Yuan, Wang Zhang
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.5007 ± 0.0014 Å
• b: 9.0346 ± 0.0013 Å
• c: 15.407 ± 0.003 Å
• α: 90°
• β: 109.696 ± 0.011°
• γ: 90°
• Cell volume: 1507.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0247
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No