Information card for entry 7700939

Structure parameters

• Formula: C43 H56 Cl O2 P Pd
• Calculated formula: C43 H56 Cl O2 P Pd
• Title of publication: Palladium-mediated intramolecular dearomatization of ligated dialkylterphenyl phosphines.
• Authors of publication: Rama, Raquel J.; Maya, Celia; Nicasio, M. Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14575 - 14579
• a: 14.0644 ± 0.0005 Å
• b: 13.7583 ± 0.0005 Å
• c: 20.81 ± 0.0007 Å
• α: 90°
• β: 109.162 ± 0.002°
• γ: 90°
• Cell volume: 3803.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No