Information card for entry 7117972

Structure parameters

• Common name: hydrazone 5
• Formula: C20 H22 N4 O6
• Calculated formula: C20 H22 N4 O6
• SMILES: O=N(=O)c1c(N/N=C(/C[C@@H]2OCO[C@H]2CCc2ccccc2)C)ccc(c1)N(=O)=O.O=N(=O)c1c(N/N=C(/C[C@H]2OCO[C@@H]2CCc2ccccc2)C)ccc(c1)N(=O)=O
• Title of publication: Diastereoselective construction of anti-4,5-disubstituted-1,3-dioxolanes via a bismuth-mediated two-component hemiacetal oxa-conjugate addition of gamma-hydroxy-alpha,beta-unsaturated ketones with paraformaldehyde
• Authors of publication: Aleksandr Grisin; Samuel Oliver; Michael D. Ganton; John Bacsa; P. Andrew Evans
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15681
• a: 18.938 ± 0.006 Å
• b: 5.258 ± 0.0017 Å
• c: 20.517 ± 0.007 Å
• α: 90°
• β: 108.76 ± 0.005°
• γ: 90°
• Cell volume: 1934.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No