Information card for entry 4126120

Structure parameters

• Formula: C30 H39 B
• Calculated formula: C30 H39 B
• SMILES: c1(c(c(cc(c1)C(C)(C)C)C(C)(C)C)B(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.
• Authors of publication: Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 5692 - 5695
• a: 8.987 ± 0.002 Å
• b: 10.2 ± 0.003 Å
• c: 27.625 ± 0.007 Å
• α: 90°
• β: 93.447 ± 0.004°
• γ: 90°
• Cell volume: 2527.7 ± 1.1 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No