Information card for entry 4126228

Structure parameters

• Formula: C28 H49 B O Si
• Calculated formula: C28 H49 B O Si
• SMILES: [Si]1(O[C@H]([C@@H]([C@@H](B(CC)CC)[C@@H](C1)CC)c1ccccc1)/C=C/C)(C(C)(C)C)C(C)(C)C
• Title of publication: Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.
• Authors of publication: Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 25
• Pages of publication: 8404 - 8407
• a: 9.1353 ± 0.0011 Å
• b: 14.1491 ± 0.0017 Å
• c: 11.2404 ± 0.0013 Å
• α: 90°
• β: 108.677 ± 0.002°
• γ: 90°
• Cell volume: 1376.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No