Information card for entry 2230750

Structure parameters

• Common name: Schiff-base
• Chemical name: 2-((<i>E</i>)-{(<i>S</i>)-(6-Methoxyquinolin-4-yl)[(2<i>S</i>)-8- vinylquinuclidin-2-yl]methylimino}methyl)phenol
• Formula: C27 H29 N3 O2
• Calculated formula: C27 H29 N3 O2
• SMILES: N(=C\c1c(O)cccc1)/[C@@H](c1ccnc2ccc(OC)cc12)[C@H]1N2CC[C@@H](C1)[C@H](C2)C=C
• Title of publication: 2-((<i>E</i>)-{(<i>S</i>)-(6-Methoxyquinolin-4-yl)[(2<i>S</i>)-8-vinylquinuclidin-2-yl]methylimino}methyl)phenol
• Authors of publication: Wei, Yu; He, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1674
• a: 8.9285 ± 0.0015 Å
• b: 11.6759 ± 0.0019 Å
• c: 21.939 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2287.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes