Information card for entry 2212341

Structure parameters

• Chemical name: (R,R)-4,4'-dimethyl-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: [C@H]1(CCCC[C@H]1/N=C/c1c(ccc(c1)C)O)/N=C/c1c(ccc(c1)C)O
• Title of publication: (<i>R</i>,<i>R</i>)-4,4'-Dimethyl-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Yang, Ming-Hua; Zheng, Yun-Fa; Yan, Guo-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o982 - o983
• a: 8.9896 ± 0.0005 Å
• b: 10.3568 ± 0.0006 Å
• c: 21.3397 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1986.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes