Information card for entry 1545050

Structure parameters

• Formula: C49 H42 F24 N8 O4 P4
• Calculated formula: C49 H42 F24 N8 O4 P4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C1N(C(=O)c2c1c1ccc2C[n+]2ccc(cc2)c2cc[n+](cc2)Cc2ccc(cc2)C[n+]2ccc(cc2)c2cc[n+](cc2)C1)CC(=O)OCC#C.N#CC.N#CC.N#CC
• Title of publication: Radically promoted formation of a molecular lasso
• Authors of publication: Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2562
• a: 10.6431 ± 0.0011 Å
• b: 41.576 ± 0.004 Å
• c: 13.8546 ± 0.0015 Å
• α: 90°
• β: 110.763 ± 0.005°
• γ: 90°
• Cell volume: 5732.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• 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: 0.1417
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.3014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No