Information card for entry 8105544

Structure parameters

• Formula: C20 H18 I4 N2 O2
• Calculated formula: C20 H18 I4 N2 O2
• SMILES: Ic1cc(I)cc(c1O)/C=N/[C@H]1CCCC[C@@H]1/N=C/c1cc(I)cc(I)c1O.Ic1cc(I)cc(c1O)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1cc(I)cc(I)c1O
• Title of publication: Crystal structure of rac-trans-N,N′-bis(3,5-diiodosalicylidene)-1,2-cyclohexanediamine, C20H18I4N2O2
• Authors of publication: Wu, Qiong; Tang, Yafang; Li, Jun; Li, Yajuan; Fang, Yunshan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 69 - 70
• a: 15.8722 ± 0.0009 Å
• b: 9.599 ± 0.0005 Å
• c: 16.8433 ± 0.0008 Å
• α: 90°
• β: 109.352 ± 0.006°
• γ: 90°
• Cell volume: 2421.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0616
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No