Information card for entry 1542349

Structure parameters

• Formula: C22 H26 B N
• Calculated formula: C22 H26 B N
• SMILES: [B]12([n]3c(C=C1c1ccc(cc1)C)cccc3)C1CCCC2CCC1
• 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: 8.7114 ± 0.0003 Å
• b: 9.6629 ± 0.0004 Å
• c: 10.9661 ± 0.0005 Å
• α: 107.461 ± 0.002°
• β: 90.795 ± 0.002°
• γ: 100.807 ± 0.002°
• Cell volume: 862.52 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No