Information card for entry 4120544

Structure parameters

• Common name: BT1-282
• Chemical name: hartwig24
• Formula: C28 H16 Cu N4 O4
• Calculated formula: C28 H16 Cu N4 O4
• Title of publication: Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.
• Authors of publication: Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 6
• Pages of publication: 2555 - 2563
• a: 10.7048 ± 0.0009 Å
• b: 10.895 ± 0.0009 Å
• c: 11.5387 ± 0.001 Å
• α: 80.925 ± 0.003°
• β: 68.386 ± 0.002°
• γ: 64.219 ± 0.002°
• Cell volume: 1126.58 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No