Information card for entry 1572974

Structure parameters

• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• SMILES: o1c2c(ccc(N(CC)CC)c2)cc(c1=O)c1ccc(C#N)cc1
• Title of publication: Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.
• Authors of publication: Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 293 - 302
• a: 6.633 ± 0.0006 Å
• b: 7.5002 ± 0.0007 Å
• c: 17.4918 ± 0.0016 Å
• α: 79.488 ± 0.007°
• β: 81.308 ± 0.007°
• γ: 64.528 ± 0.007°
• Cell volume: 769.83 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.284
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No