Information card for entry 4023928

Structure parameters

• Formula: C34 H35 N O3
• Calculated formula: C34 H35 N O3
• SMILES: COc1ccc(cc1)CN1C(=O)C(C1(CCc1ccccc1)CCc1ccccc1)OCc1ccccc1
• Title of publication: Rapid Synthesis of 1,3,4,4-Tetrasubstituted β-Lactams from Methyleneaziridines Using a Four-Component Reaction
• Authors of publication: Claire C. A. Cariou; Guy J. Clarkson; Michael Shipman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9762 - 9764
• a: 9.7661 ± 0.0003 Å
• b: 11.6217 ± 0.0003 Å
• c: 14.3084 ± 0.0004 Å
• α: 106.709 ± 0.002°
• β: 99.009 ± 0.002°
• γ: 112.083 ± 0.003°
• Cell volume: 1375.72 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No