Information card for entry 2235057

Structure parameters

• Chemical name: 2,2'-[(<i>E</i>,<i>E</i>)-<i>cis</i>-(Cyclohexane-1,4- diyl)bis(nitrilomethanylylidene)]diphenol
• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: Oc1ccccc1/C=N/[C@@H]1CC[C@H](CC1)/N=C\c1ccccc1O
• Title of publication: 2,2'-[(<i>E</i>,<i>E</i>)-<i>cis</i>-(Cyclohexane-1,4-diyl)bis(nitrilomethanylylidene)]diphenol
• Authors of publication: Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1905
• a: 16.2979 ± 0.0011 Å
• b: 6.1103 ± 0.0004 Å
• c: 18.2336 ± 0.0012 Å
• α: 90°
• β: 104.975 ± 0.004°
• γ: 90°
• Cell volume: 1754.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes