Information card for entry 4071235

Structure parameters

• Formula: C17 H21 Cl N2 O2 Pd
• Calculated formula: C17 H21 Cl N2 O2 Pd
• Title of publication: Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex
• Authors of publication: Giri, Ramesh; Maugel, Nathan; Foxman, Bruce M.; Yu, Jin-Quan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1667
• a: 11.4408 ± 0.0005 Å
• b: 9.9882 ± 0.0004 Å
• c: 14.8055 ± 0.0006 Å
• α: 90°
• β: 97.645 ± 0.003°
• γ: 90°
• Cell volume: 1676.83 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for all reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8508
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No