Information card for entry 1567339

Structure parameters

• Formula: C21 H34 N2 O
• Calculated formula: C21 H34 N2 O
• Title of publication: Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis
• Authors of publication: Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 6.189 ± 0.0004 Å
• b: 12.3978 ± 0.0009 Å
• c: 26.4025 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0432
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No