Information card for entry 4117329

Structure parameters

• Common name: 3-41
• Formula: C24 H27 Cl0 N
• Calculated formula: C24 H27 N
• SMILES: [C@@H](c1ccccn1)(c1ccccc1C)c1c(cccc1CCCC)C
• Title of publication: Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes
• Authors of publication: Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1690 - 1698
• a: 8.8002 ± 0.0012 Å
• b: 13.2695 ± 0.0019 Å
• c: 8.9052 ± 0.0013 Å
• α: 90°
• β: 113.995 ± 0.005°
• γ: 90°
• Cell volume: 950 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No