Information card for entry 4114767

Structure parameters

• Formula: C21 H16 Br N O
• Calculated formula: C21 H16 Br N O
• SMILES: Brc1ccc(N2C(=O)[C@H]([C@H]2c2ccccc2)c2ccccc2)cc1
• Title of publication: Cu(I)/Bis(azaferrocene)-Catalyzed Enantioselective Synthesis of β-Lactams via Couplings of Alkynes with Nitrones
• Authors of publication: Michael M.-C. Lo; Gregory C. Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 4572 - 4573
• a: 8.8016 ± 0.0005 Å
• b: 8.8016 ± 0.0005 Å
• c: 46.695 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3617.4 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No