Information card for entry 1542351

Structure parameters

• Formula: C18 H28 B N Si
• Calculated formula: C18 H28 B N Si
• SMILES: [Si](C1=Cc2[n]([B]31C1CCCC3CCC1)cccc2)(C)(C)C
• Title of publication: Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.
• Authors of publication: Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 720 - 723
• a: 6.6373 ± 0.0003 Å
• b: 9.5044 ± 0.0004 Å
• c: 27.3003 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1722.2 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No