Information card for entry 7158891

Structure parameters

• Formula: C36 H30 N2 O2
• Calculated formula: C36 H30 N2 O2
• SMILES: n1(c(=O)c2c(=O)n(c(c(c2c(c1C)c1ccccc1)c1ccccc1)C)Cc1ccccc1)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: 13.9488 ± 0.0004 Å
• b: 11.7242 ± 0.0003 Å
• c: 17.1824 ± 0.0004 Å
• α: 90°
• β: 95.74 ± 0.001°
• γ: 90°
• Cell volume: 2795.89 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No