Information card for entry 1572973

Structure parameters

• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• 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: 2024
• a: 9.2173 ± 0.0014 Å
• b: 9.4972 ± 0.0011 Å
• c: 9.5809 ± 0.001 Å
• α: 88.263 ± 0.009°
• β: 82.367 ± 0.01°
• γ: 85.479 ± 0.011°
• Cell volume: 828.51 ± 0.18 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: 0.0518
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No