Information card for entry 7107265

Structure parameters

• Formula: C18 H14 N2 O6
• Calculated formula: C18 H14 N2 O6
• SMILES: O(C(N1CCOC1=O)=Cc1cc(N(=O)=O)ccc1)C(=O)c1ccccc1
• Title of publication: Palladium-catalyzed hydroacyloxylation of ynamides
• Authors of publication: Donna L. Smith; William R. F. Goundry; Hon Wai Lam
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1505
• a: 6.0115 ± 0.0006 Å
• b: 13.5318 ± 0.0014 Å
• c: 19.657 ± 0.0019 Å
• α: 90°
• β: 91.369 ± 0.005°
• γ: 90°
• Cell volume: 1598.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0605
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No