Information card for entry 4517297

Structure parameters

• Formula: C84 H54 Cl2 P2 Pd
• Calculated formula: C84 H54 Cl2 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P](c1cc2ccc3ccc4ccccc4c3c2c2c1ccc1ccc3ccccc3c21)(c1ccccc1)c1ccccc1)[P](c1cc2ccc3ccc4ccccc4c3c2c2c1ccc1ccc3ccccc3c21)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex.
• Authors of publication: Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 882 - 892
• a: 16.66 ± 0.001 Å
• b: 15.5656 ± 0.0008 Å
• c: 28.2198 ± 0.0016 Å
• α: 90°
• β: 97.375 ± 0.004°
• γ: 90°
• Cell volume: 7257.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.2117
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.3273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No