Information card for entry 1540473

Structure parameters

• Formula: C18 H20 Br N
• Calculated formula: C18 H20 Br N
• SMILES: BrCCCCCCn1c2ccccc2c2ccccc12
• 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: 16.319 ± 0.003 Å
• b: 8.0724 ± 0.0016 Å
• c: 24.455 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3221.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No