Information card for entry 4079677

Structure parameters

• Formula: C18 H30 Cl3 N Si
• Calculated formula: C18 H30 Cl3 N Si
• SMILES: [Cl-].[NH2+]1C(Cc2c(cccc2)C(=C(\[Si](C)(C)C)C)\C1)(C)C.C(Cl)Cl
• Title of publication: Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts
• Authors of publication: García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8333
• a: 12.6524 ± 0.0006 Å
• b: 9.421 ± 0.0005 Å
• c: 18.1857 ± 0.0009 Å
• α: 90°
• β: 90.093 ± 0.002°
• γ: 90°
• Cell volume: 2167.7 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No