Information card for entry 4104680

Structure parameters

• Formula: C34 H52 B Li N2 O2
• Calculated formula: C34 H52 B Li N2 O2
• SMILES: B1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Li]([O]1CCCC1)[O]1CCCC1
• Title of publication: Chemistry of Boryllithium: Synthesis, Structure, and Reactivity
• Authors of publication: Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9600 - 9600
• a: 11.5625 ± 0.001 Å
• b: 19.603 ± 0.002 Å
• c: 28.941 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6559.8 ± 1 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No