Information card for entry 1516562

Structure parameters

• Formula: C15 H29 B N2
• Calculated formula: C15 H29 B N2
• SMILES: C([BH]1c2n(cc[n+]2C(C1)(C)C)C(C)(C)C)(C)(C)C
• Title of publication: Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions
• Authors of publication: Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2271
• a: 14.3661 ± 0.0007 Å
• b: 12.0848 ± 0.0006 Å
• c: 18.962 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No