Information card for entry 2218177

Structure parameters

• Chemical name: (2<i>Z</i>,2'<i>Z</i>,4<i>E</i>,4'<i>E</i>)-4,4'-(Cyclohexane-1,2- diyldinitrilo)dipent-2-en-2-ol
• Formula: C16 H26 N2 O2
• Calculated formula: C16 H26 N2 O2
• SMILES: N(=C(\C=C(/O)C)/C)/[C@@H]1[C@@H](/N=C(/C=C(\O)C)C)CCCC1
• Title of publication: (2<i>Z</i>,2'<i>Z</i>,4<i>E</i>,4'<i>E</i>)-4,4'-(Cyclohexane-1,2-diyldinitrilo)dipent-2-en-2-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: 5
• Pages of publication: o848
• a: 9.7306 ± 0.0015 Å
• b: 14.7003 ± 0.0017 Å
• c: 12.76 ± 0.002 Å
• α: 90°
• β: 109.927 ± 0.008°
• γ: 90°
• Cell volume: 1715.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes