Information card for entry 1574856

Structure parameters

• Formula: C62 H42 N4 O4
• Calculated formula: C62 H42 N4 O4
• Title of publication: Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.
• Authors of publication: Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12293 - 12302
• a: 23.7964 ± 0.0007 Å
• b: 14.8763 ± 0.0003 Å
• c: 14.0068 ± 0.0004 Å
• α: 90°
• β: 93.979 ± 0.001°
• γ: 90°
• Cell volume: 4946.5 ± 0.2 ų
• Cell temperature: 272 ± 2 K
• Ambient diffraction temperature: 272 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: 0.0936
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No