Information card for entry 2237426

Structure parameters

• Chemical name: (<i>Z</i>)-4-Bromo-<i>N</i>-{(<i>Z</i>)-3-[(4-bromo-2,6- diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline
• Formula: C28 H38 Br2 N2
• Calculated formula: C28 H38 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)C)C
• Title of publication: (<i>Z</i>)-4-Bromo-<i>N</i>-{(<i>Z</i>)-3-[(4-bromo-2,6-diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline
• Authors of publication: Zhang, Cun; Wu, Guo-Fan; Huang, Bao-Mei; Lu, Xiao-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o216
• a: 9.099 ± 0.003 Å
• b: 12.199 ± 0.004 Å
• c: 13.566 ± 0.005 Å
• α: 90°
• β: 104.905 ± 0.005°
• γ: 90°
• Cell volume: 1455.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes