Information card for entry 1573980

Structure parameters

• Formula: C40 H29 N O2
• Calculated formula: C40 H29 N O2
• SMILES: O=C(c1ccc(cc1)c1cc2c3c(n(c2cc1)CC)ccc(c3)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
• Title of publication: 3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.
• Authors of publication: Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 5299 - 5309
• a: 7.7089 ± 0.0001 Å
• b: 24.161 ± 0.0002 Å
• c: 30.34 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5650.97 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No