Information card for entry 1576887

Structure parameters

• Formula: C18 H13 N O2
• Calculated formula: C18 H13 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: 6.8308 ± 0.0005 Å
• b: 12.1154 ± 0.001 Å
• c: 8.1913 ± 0.0008 Å
• α: 90°
• β: 105.093 ± 0.004°
• γ: 90°
• Cell volume: 654.51 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No