Information card for entry 7101173

Structure parameters

• Formula: C70 H78 Li4 N8
• Calculated formula: C70 H78 Li4 N8
• SMILES: [Li+].[Li+].[Li+].[Li+].N1(C)[C@H](CCC1)C[N-]c1ccc2ccccc2c1c1c2c(ccc1[N-]C[C@H]1CCCN1C)cccc2.N1(C)[C@@H](CCC1)C[N-]c1ccc2ccccc2c1c1c2c(ccc1[N-]C[C@@H]1CCCN1C)cccc2.c1ccccc1
• Title of publication: Base-catalysed asymmetric hydroamination/cyclisation of aminoalkenes utilising a dimeric chiral diamidobinaphthyl dilithium salt
• Authors of publication: Patricia Horrillo Martínez; Kai C. Hultzsch; Frank Hampel
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 21
• a: 9.7704 ± 0.0001 Å
• b: 17.6269 ± 0.0003 Å
• c: 16.833 ± 0.0002 Å
• α: 90°
• β: 93.335 ± 0.001°
• γ: 90°
• Cell volume: 2894.1 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No