Information card for entry 1548444

Structure parameters

• Formula: C38 H47 B2 Cl N2 O2
• Calculated formula: C38 H47 B2 Cl N2 O2
• SMILES: B1(N(C(=[B](\[n]2cc(ccc2)Cl)c2c(cc(cc2C)C)C)\c2c(cc(cc2C)C)C)c2c(cccc2C)C)OC(C(O1)(C)C)(C)C
• Title of publication: Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.
• Authors of publication: Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1301 - 1310
• a: 10.777 ± 0.005 Å
• b: 8.468 ± 0.004 Å
• c: 38.298 ± 0.017 Å
• α: 90°
• β: 95.088 ± 0.007°
• γ: 90°
• Cell volume: 3481 ± 3 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No