Information card for entry 2204659

Structure parameters

• Common name: (R,R)-N,N'-Bis(5-chloro-salicylidene)-1,2-cyclohexanediamine
• Chemical name: (R,R)-4,4'-dichloro-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol
• Formula: C20 H20 Cl2 N2 O2
• Calculated formula: C20 H20 Cl2 N2 O2
• SMILES: Oc1ccc(cc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)ccc1O)Cl
• Title of publication: (<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(5-chlorosalicylidene)-1,2-cyclohexanediamine
• Authors of publication: Yang, Ming-Hua; Li, Yi-Zhi; Zhu, Cheng-Jian; Pan, Yi; Liu, Shan-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2397 - o2398
• a: 18.99 ± 0.006 Å
• b: 5.829 ± 0.002 Å
• c: 8.839 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 978.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1549
• 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: Yes