Information card for entry 2210198

Structure parameters

• Chemical name: 2-pyridone‒1,1'-bis(4-hydroxyphenyl)cyclohexane (1/1)
• Formula: C23 H25 N O3
• Calculated formula: C23 H25 N O3
• SMILES: Oc1ccc(C2(CCCCC2)c2ccc(O)cc2)cc1.O=c1[nH]cccc1
• Title of publication: Inclusion compound 2-pyridone‒1,1-bis(4-hydroxyphenyl)cyclohexane (1/1)
• Authors of publication: Lavy, Tali; Kaftory, Menahem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3977 - o3978
• a: 6.286 ± 0.0002 Å
• b: 10.653 ± 0.0004 Å
• c: 15.215 ± 0.0006 Å
• α: 103.147 ± 0.0014°
• β: 96.562 ± 0.0014°
• γ: 104.143 ± 0.003°
• Cell volume: 946.4 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes