Information card for entry 2233386

Structure parameters

• Chemical name: (1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4- chlorobenzylidene)cyclohexane-1,2-diamine
• Formula: C20 H20 Cl2 N2
• Calculated formula: C20 H20 Cl2 N2
• SMILES: Clc1ccc(cc1)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccc(Cl)cc1
• Title of publication: (1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)cyclohexane-1,2-diamine
• Authors of publication: Arvinnezhad, Hamid; Jadidi, Khosrow; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o407 - o408
• a: 5.5058 ± 0.0011 Å
• b: 15.734 ± 0.003 Å
• c: 21.302 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes