Information card for entry 4021907

Structure parameters

• Formula: C24 H29 B F N O
• Calculated formula: C24 H29 B F N O
• SMILES: F[B@]1(Oc2ccccc2C=[N]1Cc1ccccc1)[C@@H]1C[C@H]2C([C@H](C2)[C@H]1C)(C)C
• Title of publication: Isopinocampheylborane Derivatives with >99% ee via the DMAP Complex
• Authors of publication: Peter Shapland; Edwin Vedejs
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6666 - 6669
• a: 8.7767 ± 0.0018 Å
• b: 22.603 ± 0.005 Å
• c: 10.482 ± 0.002 Å
• α: 90°
• β: 90.287 ± 0.003°
• γ: 90°
• Cell volume: 2079.3 ± 0.7 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No