Information card for entry 4032167

Structure parameters

• Formula: C24 H29 F6 N2 P
• Calculated formula: C24 H29 F6 N2 P
• SMILES: c1(c(C(C)C)cccc1C(C)C)n1cc[n+](c1)[C@H]1c2ccccc2CC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.
• Authors of publication: Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 1880 - 1887
• a: 9.5426 ± 0.0005 Å
• b: 14.1928 ± 0.0006 Å
• c: 18.2177 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2467.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No