Information card for entry 2218775

Structure parameters

• Chemical name: 3,3'-Dibromo-1,1'-[(propane-1,3-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Formula: C17 H16 Br2 N2 O2
• Calculated formula: C17 H16 Br2 N2 O2
• Title of publication: 3,3'-Dibromo-1,1'-[(propane-1,3-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Authors of publication: Dong, Wen-Kui; Ding, Yu-Jie; Luo, Ya-Ling; Lv, Zhong-Wu; Wang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1324
• a: 24.397 ± 0.003 Å
• b: 4.4848 ± 0.0004 Å
• c: 17.189 ± 0.002 Å
• α: 90°
• β: 114.009 ± 0.002°
• γ: 90°
• Cell volume: 1718 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes