Information card for entry 7059412

Structure parameters

• Formula: C60.5 H55 N5.5 O5.5
• Calculated formula: C70 H50 N2
• Title of publication: Regioisomeric monopyridine-functionalized triarylethene: small AIEgens with isomeric effect and an efficient platform for the selective and sensitive detection of Pd2+ and Fe3+
• Authors of publication: Mukherjee, Atasi; Chakravarty, Manab
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 6173 - 6181
• a: 9.3645 ± 0.0002 Å
• b: 9.8616 ± 0.0002 Å
• c: 29.8334 ± 0.0006 Å
• α: 91.421 ± 0.002°
• β: 95.716 ± 0.002°
• γ: 114.431 ± 0.002°
• Cell volume: 2489.29 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0714
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No