Information card for entry 1573981

Structure parameters

• Formula: C33 H23 Cl2 N O2
• Calculated formula: C33 H23 Cl2 N O2
• SMILES: ClCCl.O=C(c1cc2c3c(n(c2cc1)c1ccccc1)ccc(c3)C(=O)c1ccccc1)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: 12.8697 ± 0.0006 Å
• b: 26.1356 ± 0.0009 Å
• c: 7.9805 ± 0.0003 Å
• α: 90°
• β: 107.143 ± 0.004°
• γ: 90°
• Cell volume: 2565.04 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No