Information card for entry 4517544

Structure parameters

• Formula: C14 H8 Br2
• Calculated formula: C14 H8 Br2
• Title of publication: Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.
• Authors of publication: Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 8912 - 8918
• a: 15.6405 ± 0.0014 Å
• b: 3.9355 ± 0.0004 Å
• c: 18.191 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1119.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No