Information card for entry 2223072

Structure parameters

• Chemical name: 4,4',6,6'-Tetrahydroseleno-2,2'-[(<i>E</i>,<i>E</i>)-cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol
• Formula: C20 H22 N2 O2 Se4
• Calculated formula: C20 H22 N2 O2 Se4
• SMILES: [SeH]c1cc([SeH])c(O)c(/C=N/[C@H]2[C@H](/N=C/c3c(O)c([SeH])cc([SeH])c3)CCCC2)c1.[SeH]c1cc([SeH])c(O)c(/C=N/[C@@H]2[C@@H](/N=C/c3c(O)c([SeH])cc([SeH])c3)CCCC2)c1
• Title of publication: 4,4',6,6'-Tetrahydroseleno-2,2'-[(<i>E</i>,<i>E</i>)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Wang, Qiang; Zha, Ru-Hua; Yuan, Ji-Wen; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2163
• a: 15.493 ± 0.002 Å
• b: 9.2975 ± 0.0015 Å
• c: 16.353 ± 0.002 Å
• α: 90°
• β: 109.865 ± 0.005°
• γ: 90°
• Cell volume: 2215.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0787
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes