Information card for entry 4075904

Structure parameters

• Chemical name: Bis-[(4aR,8aR)-4a,8a-Dimethyl-1,4a,5,8a-tetrahydro-naphthalene-2,6-dione]-palladium(0)
• Formula: C24 H28 O4 Pd
• Calculated formula: C24 H28 O4 Pd
• SMILES: [Pd]123456([CH]7=[CH]1C(=O)C[C@@]1([CH]2=[CH]3C(=O)C[C@]71C)C)[CH]1=[CH]4C(=O)C[C@@]2([CH]5=[CH]6C(=O)C[C@]12C)C
• Title of publication: Rational Design of a Chiral Palladium(0) Olefin Complex of Unprecedented Stability
• Authors of publication: Grundl, Marc A.; Kennedy-Smith, Joshua J.; Trauner, Dirk
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2831
• a: 10.783 ± 0.002 Å
• b: 7.306 ± 0.001 Å
• c: 13.147 ± 0.002 Å
• α: 90°
• β: 104.39 ± 0.02°
• γ: 90°
• Cell volume: 1003.2 ± 0.3 ų
• Cell temperature: 178.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.74
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No