Information card for entry 7115237

Structure parameters

• Formula: C22 H24.5 Cl N3 O4.25 Pd
• Calculated formula: C22 H24 Cl N3 O4.25 Pd
• Title of publication: Designer cyclopalladated-amine catalysts for the asymmetric Claisen rearrangement
• Authors of publication: Leung, Pak-Hing; Ng, Khim-Hui; Li, Yongxin; White, Andrew J. P.; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2435
• a: 12.399 ± 0.002 Å
• b: 7.6006 ± 0.0007 Å
• c: 13.0976 ± 0.0011 Å
• α: 90°
• β: 108.603 ± 0.008°
• γ: 90°
• Cell volume: 1169.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.0768
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No