Information card for entry 1545543

Structure parameters

• Formula: C29 H50 Cl2 N2 O12 Pd3
• Calculated formula: C29 H50 Cl2.0001 N2 O12 Pd3
• Title of publication: Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines
• Authors of publication: He, Chuan; Gaunt, Matthew J.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 3586
• a: 25.3774 ± 0.0004 Å
• b: 8.3627 ± 0.0002 Å
• c: 19.7264 ± 0.0004 Å
• α: 90°
• β: 116.32 ± 0.001°
• γ: 90°
• Cell volume: 3752.41 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No