Information card for entry 2219184

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4- methoxybenzylidene)cyclohexane-1,2-diamine
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: COc1ccc(cc1)/C=N/[C@H]1CCCC[C@@H]1/N=C/c1ccc(cc1)OC.COc1ccc(cc1)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccc(cc1)OC
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)cyclohexane-1,2-diamine
• Authors of publication: Wang, Guo-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1647
• a: 19.674 ± 0.003 Å
• b: 5.4097 ± 0.0009 Å
• c: 18.662 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1986.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes