Information card for entry 2224575

Structure parameters

• Chemical name: 1,4-Bis(4-bromo-2,6-diisopropylphenyl)-1,4-diazabuta-1,3-diene
• Formula: C26 H34 Br2 N2
• Calculated formula: C26 H34 Br2 N2
• SMILES: CC(c1cc(Br)cc(c1/N=C/C=N/c1c(cc(cc1C(C)C)Br)C(C)C)C(C)C)C
• Title of publication: 1,4-Bis(4-bromo-2,6-diisopropylphenyl)-1,4-diazabuta-1,3-diene
• Authors of publication: Guzei, Ilia A.; Hill, Nicholas J.; Van Hout, Matthew R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o40 - o41
• a: 8.961 ± 0.003 Å
• b: 17.848 ± 0.007 Å
• c: 8.62 ± 0.003 Å
• α: 90°
• β: 104.26 ± 0.011°
• γ: 90°
• Cell volume: 1336.2 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes