Information card for entry 1507698

Structure parameters

• Common name: CE-OHPHENYLIMINE
• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• SMILES: O1c2c3C(O)c4c(OCCOCCOCCOCC1)cccc4C(=Nc1ccccc1)c3ccc2.CC#N
• Title of publication: Zinc(II) Mediated Imine-Enamine Tautomerization.
• Authors of publication: Basa, Prem N.; Bhowmick, Arundhati; Horn, Lashawn Medicine; Sykes, Andrew G.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2698 - 2701
• a: 11.4323 ± 0.0006 Å
• b: 14.1887 ± 0.0008 Å
• c: 16.0973 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2611.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No