Information card for entry 1546009

Structure parameters

• Formula: C19 H23 N O4
• Calculated formula: C19 H23 N O4
• SMILES: O=c1[nH]c(c2ccc(OC)cc2)c2cc1COCCCCCOC2
• Title of publication: Rhodium(III)-Catalyzed C-H Activation/Heterocyclization as a Macrocyclization Strategy. Synthesis of Macrocyclic Pyridones.
• Authors of publication: Krieger, Jean-Philippe; Lesuisse, Dominique; Ricci, Gino; Perrin, Marc-Antoine; Meyer, Christophe; Cossy, Janine
• Journal of publication: Organic letters
• Year of publication: 2017
• a: 15.183 ± 0.004 Å
• b: 6.7949 ± 0.0018 Å
• c: 16.513 ± 0.004 Å
• α: 90°
• β: 92.37 ± 0.003°
• γ: 90°
• Cell volume: 1702.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No