Information card for entry 7158889

Structure parameters

• Formula: C34 H24 N2 O
• Calculated formula: C34 H24 N2 O
• SMILES: O1C(=C(C(C(=C1C)c1ccc(cc1)c1ccccc1)=C(C#N)C#N)c1ccc(cc1)c1ccccc1)C
• 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: 30.271 ± 0.003 Å
• b: 19.1087 ± 0.0018 Å
• c: 9.045 ± 0.0009 Å
• α: 90°
• β: 94.914 ± 0.003°
• γ: 90°
• Cell volume: 5212.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2503
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No