Information card for entry 1572975

Structure parameters

• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• SMILES: o1c2c(c(c3ccc(cc3)C#N)cc1=O)ccc(N(CC)CC)c2
• 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: 11.443 ± 0.0008 Å
• b: 13.277 ± 0.0008 Å
• c: 10.8931 ± 0.0008 Å
• α: 90°
• β: 99.297 ± 0.006°
• γ: 90°
• Cell volume: 1633.24 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0407
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No