Information card for entry 1569191

Structure parameters

• Formula: C28 H20 N2 O2
• Calculated formula: C28 H20 N2 O2
• Title of publication: Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.
• Authors of publication: Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6348 - 6354
• a: 11.9476 ± 0.0002 Å
• b: 5.8409 ± 0.0001 Å
• c: 15.0139 ± 0.0003 Å
• α: 90°
• β: 95.536 ± 0.002°
• γ: 90°
• Cell volume: 1042.85 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0432
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No