Information card for entry 4324522

Structure parameters

• Formula: C31 H42 Cl2 Li N5 O
• Calculated formula: C31 H42 Cl2 Li N5 O
• SMILES: c1(cc(C)[n]2n1C([C@@H](C1=CC[C@H]3C[C@@H]1C3(C)C)Nc1ccc(cc1)Cl)n1c(cc(C)[n]1[Li]2([O]1CCCC1)Cl)C)C
• Title of publication: Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines
• Authors of publication: Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1826 - 1839
• a: 14.5316 ± 0.0007 Å
• b: 14.5316 ± 0.0007 Å
• c: 15.1786 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3205.2 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No