Information card for entry 4038009

Structure parameters

• Formula: C188 H132 B2 F8 N4 Pd
• Calculated formula: C188 H132 B2 F8 N4 Pd
• SMILES: [B](F)(F)(F)[F-].C(#CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(c[n]([Pd]([n]2cc(cc(c2)C#CC(c2ccccc2)(c2ccccc2)c2ccccc2)C#CC(c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cc(cc(c2)C#CC(c2ccccc2)(c2ccccc2)c2ccccc2)C#CC(c2ccccc2)(c2ccccc2)c2ccccc2)[n]2cc(cc(c2)C#CC(c2ccccc2)(c2ccccc2)c2ccccc2)C#CC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.
• Authors of publication: Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.0587 ± 0.0006 Å
• b: 15.6881 ± 0.0008 Å
• c: 21.3941 ± 0.0009 Å
• α: 108.741 ± 0.002°
• β: 106.946 ± 0.002°
• γ: 99.339 ± 0.002°
• Cell volume: 3808.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No