Information card for entry 7133104

Structure parameters

• Formula: C26 H25 N O5
• Calculated formula: C26 H25 N O5
• SMILES: O=C(N[C@@H](C(=O)OCC)CCC(=O)OCC)c1ccc2ccc3cccc4ccc1c2c34
• Title of publication: Interfacial self-assembly of a chiral pyrene exciplex into a superhelix with enhanced circularly polarized luminescence.
• Authors of publication: Yang, Yang; Yang, Chenchen; Zhu, Xuefeng; Zhang, Li; Liu, Minghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 52
• Pages of publication: 6631 - 6634
• a: 5.0705 ± 0.0002 Å
• b: 19.7168 ± 0.0007 Å
• c: 21.861 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2185.53 ± 0.15 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No