Information card for entry 4038574

Structure parameters

• Formula: C32 H30 N4 O2
• Calculated formula: C32 H30 N4 O2
• Title of publication: Diastereoselective Synthesis of β-Lactams by Ligand-Controlled Stereodivergent Intramolecular Tsuji-Trost Allylation.
• Authors of publication: Faltracco, Matteo; Sukowski, Verena; van Druenen, Max; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Ruijter, Eelco
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.2121 ± 0.0001 Å
• b: 38.932 ± 0.0005 Å
• c: 8.1281 ± 0.0001 Å
• α: 90°
• β: 114.645 ± 0.002°
• γ: 90°
• Cell volume: 2649.57 ± 0.07 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No