Information card for entry 4114766

Structure parameters

• Formula: C31 H42 Fe2 N2
• Calculated formula: C31 H42 Fe2 N2
• SMILES: [Fe]12345678(N9[C]1(=[CH]2[CH]3=[C]49C)C[C]12[Fe]349%10%11%12%13(N1[C]9(=[CH]4[CH]=23)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• 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: 8.4041 ± 0.0006 Å
• b: 12.1348 ± 0.0008 Å
• c: 26.9259 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2746 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No