Information card for entry 2234821

Structure parameters

• Chemical name: <i>N</i>-(2-{[7-(2-Anilinoethoxy)-3,6-dibromonaphthalen-2-yl]oxy}ethyl)aniline
• Formula: C26 H24 Br2 N2 O2
• Calculated formula: C26 H24 Br2 N2 O2
• SMILES: O(c1c(Br)cc2cc(Br)c(OCCNc3ccccc3)cc2c1)CCNc1ccccc1
• Title of publication: <i>N</i>-(2-{[7-(2-Anilinoethoxy)-3,6-dibromonaphthalen-2-yl]oxy}ethyl)aniline
• Authors of publication: Zong, Qian-Shou; Wu, Jian-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1355
• a: 9.588 ± 0.003 Å
• b: 10.898 ± 0.003 Å
• c: 13.06 ± 0.004 Å
• α: 103.19 ± 0.004°
• β: 93.953 ± 0.004°
• γ: 115.622 ± 0.005°
• Cell volume: 1176 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes