Information card for entry 7123309

Structure parameters

• Formula: C24 H18 Cl N O2
• Calculated formula: C24 H18 Cl N O2
• Title of publication: Enantioselective iridium catalyzed α-alkylation of azlactones by a tandem asymmetric allylic alkylation/aza-Cope rearrangement
• Authors of publication: Bai, Xue-Dan; Zhang, Qing-Feng; He, Ying
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.0263 ± 0.0005 Å
• b: 16.968 ± 0.0014 Å
• c: 18.885 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1931.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No