Information card for entry 7113932

Structure parameters

• Common name: rzg1561
• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c12cccnc1C(=O)N(C\2=C\C(=O)OC)Cc1ccccc1
• Title of publication: Synthesis of alkylidene pyrrolo[3,4-b]pyridin-7-one derivatives via RhIII-catalyzed cascade oxidative alkenylation/annulation of picolinamides
• Authors of publication: Angel Manu Martinez; Nuria Rodriguez; Ramon Gomez Arrayas; Juan C. Carretero
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6105
• a: 7.5891 ± 0.0013 Å
• b: 11.2221 ± 0.0016 Å
• c: 17.124 ± 0.003 Å
• α: 90°
• β: 90.544 ± 0.006°
• γ: 90°
• Cell volume: 1458.3 ± 0.4 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: 0.1442
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.3595
• Weighted residual factors for all reflections included in the refinement: 0.3853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No