Information card for entry 7151781

Structure parameters

• Formula: C28 H34 Br2 N4 O6
• Calculated formula: C11.56 H15.15 Br0.8 N1.66 O2.52
• Title of publication: Synthesis of tri-substituted biaryl based trianglimines: formation of C3-symmetrical and non-symmetrical regioisomers.
• Authors of publication: Nour, Hany F.; Matei, Marius F.; Bassil, Bassem S.; Kortz, Ulrich; Kuhnert, Nikolai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3258 - 3271
• a: 7.8543 ± 0.0006 Å
• b: 9.3193 ± 0.0007 Å
• c: 10.5343 ± 0.0006 Å
• α: 95.589 ± 0.004°
• β: 110.786 ± 0.002°
• γ: 95.62 ± 0.004°
• Cell volume: 710.15 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No