Information card for entry 2015886

Structure parameters

• Chemical name: 1-((E)-{(1R,2R)-2-[(E)-(2-Hydroxy-1- naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate
• Formula: C28 H26 N2 O2
• Calculated formula: C28 H26 N2 O2
• SMILES: [C@H]1(CCCC[C@H]1/N=C/c1c(ccc2ccccc12)O)\[NH+]=C\c1c(ccc2ccccc12)[O-]
• Title of publication: 1-((<i>E</i>)-{(1<i>R</i>,2<i>R</i>)-2-[(<i>E</i>)-(2-Hydroxy-1-naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate: a Schiff base compound having both OH and NH character
• Authors of publication: Karabıyık, Hasan; Güzel, Bilgehan; Aygün, Muhittin; Boğa, Gülnaz; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o215 - o218
• a: 9.4829 ± 0.0004 Å
• b: 9.5307 ± 0.0004 Å
• c: 25.3955 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2295.21 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes