Information card for entry 1573982

Structure parameters

• Formula: C44 H29 N O2
• Calculated formula: C44 H29 N O2
• SMILES: n1(c2c(c3cc(c4ccc(cc4)C(=O)c4ccccc4)ccc13)cc(c1ccc(C(=O)c3ccccc3)cc1)cc2)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: 15.739 ± 0.002 Å
• b: 16.068 ± 0.002 Å
• c: 13.9254 ± 0.0019 Å
• α: 90°
• β: 107.433 ± 0.002°
• γ: 90°
• Cell volume: 3359.9 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2009
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No