Information card for entry 2218342

Structure parameters

• Chemical name: (1<i>Z</i>,1'<i>Z</i>,3<i>E</i>,3'<i>E</i>)-1,1'-Diphenyl-3,3'- [(1<i>S</i>,2<i>S</i>)-cyclohexane-1,2-diyldinitrilo]dibut-1-en-1-ol
• Formula: C26 H30 N2 O2
• Calculated formula: C26 H30 N2 O2
• SMILES: N(=C(C=C(/O)c1ccccc1)/C)/[C@H]1CCCC[C@@H]1/N=C(/C=C(O)/c1ccccc1)C
• Title of publication: (1<i>Z</i>,1'<i>Z</i>,3<i>E</i>,3'<i>E</i>)-1,1'-Diphenyl-3,3'-[(1<i>S</i>,2<i>S</i>)-cyclohexane-1,2-diyldinitrilo]dibut-1-en-1-ol
• Authors of publication: Li, Xiu-Zhi; Qu, Zhi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1121
• a: 8.9073 ± 0.0011 Å
• b: 10.1205 ± 0.0013 Å
• c: 26.476 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes