Information card for entry 8105305

Structure parameters

• Chemical name: rac-<i>trans</i>-<i>N</i>,<i>N</i>'-bis(3,5-bromosalicylidene)-1,2-\ cyclohexanediamine, C~20~H~18~Br~4~N~2~O~2~
• Formula: C20 H18 Br4 N2 O2
• Calculated formula: C20 H18 Br4 N2 O2
• Title of publication: Crystal structure of rac-trans-N,N′-bis(3,5-dibromosalicylidene)-1,2-cyclohexanediamine, C20H18Br4N2O2
• Authors of publication: Jiao, Liang; Tan, Hui; Sun, Jinrong; Zhang, Longduo; Wu, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 847 - 848
• a: 9.1119 ± 0.0006 Å
• b: 17.8211 ± 0.0012 Å
• c: 13.5228 ± 0.0008 Å
• α: 90°
• β: 90.809 ± 0.002°
• γ: 90°
• Cell volume: 2195.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No