Information card for entry 7032893

Structure parameters

• Formula: C25 H37 Cl N2
• Calculated formula: C25 H37 Cl N2
• SMILES: C(=[NH+]c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C.[Cl-]
• Title of publication: Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.
• Authors of publication: Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 758 - 766
• a: 11.682 ± 0.007 Å
• b: 17.097 ± 0.01 Å
• c: 12.553 ± 0.007 Å
• α: 90°
• β: 103.143 ± 0.011°
• γ: 90°
• Cell volume: 2442 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No