Information card for entry 1551142

Structure parameters

• Formula: C24 H31 B N2
• Calculated formula: C24 H31 B N2
• SMILES: N1(C=CN2C[C@@H](C)[B@@H](=C12)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.
• Authors of publication: Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 7.5586 ± 0.0001 Å
• b: 9.2085 ± 0.0001 Å
• c: 30.8403 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146.59 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No