Information card for entry 1514394

Structure parameters

• Formula: C24 H18 Cl N O4
• Calculated formula: C24 H18 Cl N O4
• SMILES: Cl[C@H]([C@H]1N(C(=O)C(=O)OC1=O)C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams
• Authors of publication: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 622
• a: 7.8652 ± 0.0018 Å
• b: 13.56 ± 0.003 Å
• c: 19.207 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No