Information card for entry 7053650

Structure parameters

• Formula: C23 H31 B F2 N2
• Calculated formula: C23 H31 B F2 N2
• SMILES: [B]1(F)(F)N(c2c(cccc2C(C)C)C(C)C)c2c(cccc2)C[N]21CCCC2
• Title of publication: Reduction of base-stabilized difluoroboranes to induce rearrangement reactions
• Authors of publication: Yamashita, Makoto; Aramaki, Yoshitaka; Nozaki, Kyoko
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1774
• a: 13.975 ± 0.006 Å
• b: 11.39 ± 0.005 Å
• c: 14.556 ± 0.007 Å
• α: 90°
• β: 114.763 ± 0.0019°
• γ: 90°
• Cell volume: 2103.9 ± 1.6 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No