Information card for entry 4086459

Structure parameters

• Formula: C28 H32 N2 O4 Pd
• Calculated formula: C28 H32 N2 O4 Pd
• Title of publication: Direct Observation of C‒H Cyclopalladation at Tertiary Positions Enabled by an Exo-Directing Group
• Authors of publication: Ren, Zhi; Dong, Guangbin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1057
• a: 5.8758 ± 0.0011 Å
• b: 17.966 ± 0.004 Å
• c: 23.513 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2482.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No