Information card for entry 7112840

Structure parameters

• Formula: C46 H90 B2 Li4 N6 P2
• Calculated formula: C46 H90 B2 Li4 N6 P2
• SMILES: [BH]12[H][Li]34([H]2)([H][BH]([H]4)[P]2(c4ccccc4)[CH2]4[Li]56[CH2]([Li]7([CH2]25)[N](C)(C)[C@@H]2CCCC[C@H]2[N]7(C)C)[P]1(c1ccccc1)[CH2]6[Li]14[N](C)(C)[C@@H]2CCCC[C@H]2[N]1(C)C)[N](C)(C)[C@@H]1CCCC[C@H]1[N]3(C)C
• Title of publication: Unexpected direct dilithiation of a prochiral phosphine borane.
• Authors of publication: Gessner, Viktoria H.; Dilsky, Stefan; Strohmann, Carsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4719 - 4721
• a: 13.792 ± 0.004 Å
• b: 14.275 ± 0.005 Å
• c: 16.271 ± 0.004 Å
• α: 76.327 ± 0.007°
• β: 66.351 ± 0.007°
• γ: 65.941 ± 0.005°
• Cell volume: 2669.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No