Information card for entry 7159341

Structure parameters

• Formula: C15 H17 B N2 O Si
• Calculated formula: C15 H17 B N2 O Si
• SMILES: [Si](C)(C)(c1ccccc1)B1Nc2c(C(=O)N1)cccc2
• Title of publication: Efficient one-pot synthesis of dan-substituted organo- and silyl-boron compounds.
• Authors of publication: Tomota, Kazuki; Izumi, Yuki; Nakanishi, Kazuki; Nakamoto, Masaaki; Yoshida, Hiroto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5347 - 5350
• a: 11.094 ± 0.01 Å
• b: 12.199 ± 0.012 Å
• c: 22.35 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3025 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No