Information card for entry 1551143

Structure parameters

• Formula: C23 H29 B N2
• Calculated formula: C23 H29 B N2
• SMILES: N1(C2N(C=C1)C[C@@H](C)[B@@H]=2c1c(cccc1C)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: 8.5612 ± 0.0001 Å
• b: 15.4461 ± 0.0002 Å
• c: 15.9652 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2111.19 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No