Information card for entry 4321161

Structure parameters

• Common name: 1a
• Formula: C24 H26 N2 O6 P2 Pd
• Calculated formula: C24 H26 N2 O6 P2 Pd
• SMILES: [Pd]([P]1(C=C(C)C(=C1)C)c1ccccc1)([P]1(C=C(C)C(=C1)C)c1ccccc1)(ON(=O)=O)ON(=O)=O
• Title of publication: Cooperative Diastereoselectivity of Palladium- and Platinum-Promoted Intramolecular [4+2] Diels-Alder Cycloaddition Reactions of 3,4-Dimethyl-1-phenylphosphole
• Authors of publication: Kent D. Redwine; William L. Wilson; Donald G. Moses; Vincent J. Catalano; John H. Nelson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3392 - 3402
• a: 18.4624 ± 0.0017 Å
• b: 13.7194 ± 0.0017 Å
• c: 20.3557 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5156 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No