Information card for entry 1569193

Structure parameters

• Formula: C299 H342 Cl22 N48 O16
• Calculated formula: C299 H342 Cl22 N48 O16
• 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: 8.5815 ± 0.0002 Å
• b: 23.7567 ± 0.0005 Å
• c: 38.1133 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7770.1 ± 0.3 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No