Information card for entry 7158890

Structure parameters

• Formula: C48 H40 N4
• Calculated formula: C48 H40 N4
• SMILES: n1(c(=N)c2c(nc(c(c2c(c1C)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)C)NCc1ccccc1)Cc1ccccc1
• Title of publication: Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile
• Authors of publication: Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 18.9851 ± 0.0013 Å
• b: 9.842 ± 0.0007 Å
• c: 19.9967 ± 0.0016 Å
• α: 90°
• β: 107.793 ± 0.002°
• γ: 90°
• Cell volume: 3557.7 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No