Information card for entry 2013501

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol
• Formula: C22 H26 N2 O4
• Calculated formula: C22 H26 N2 O4
• SMILES: [C@@H]1([C@@H](CCCC1)\N=C\c1c(c(ccc1)OC)O)/N=C/c1c(c(ccc1)OC)O
• Title of publication: 6,6'-Dimethoxy-2,2'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol: three C—H···O hydrogen bonds generate a three-dimensional framework
• Authors of publication: Mohamed, E. Mothi; Muralidharan, Samraj; Panchanatheswaran, Krishnaswamy; Ramesh, Rengan; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o367 - o369
• a: 7.5558 ± 0.0002 Å
• b: 13.4054 ± 0.0001 Å
• c: 20.0304 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.85 ± 0.06 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: 0.0387
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes