Information card for entry 1540474

Structure parameters

• Formula: C24 H24 Br N O
• Calculated formula: C24 H24 Br N O
• SMILES: Brc1ccc(OCCCCCCn2c3c(c4c2cccc4)cccc3)cc1
• Title of publication: Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
• Authors of publication: Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• a: 5.7109 ± 0.0015 Å
• b: 12.738 ± 0.003 Å
• c: 28.186 ± 0.005 Å
• α: 90°
• β: 90.021 ± 0.001°
• γ: 90°
• Cell volume: 2050.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No