Information card for entry 7113931

Structure parameters

• Common name: rgz1456
• Formula: C23 H26 Cl N2 O Rh
• Calculated formula: C23 H26 Cl N2 O Rh
• SMILES: c1cccc2C(=O)N(Cc3ccccc3)[Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(Cl)[n]12
• 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: 7.66 ± 0.0001 Å
• b: 10.1287 ± 0.0002 Å
• c: 15.0794 ± 0.0003 Å
• α: 80.447 ± 0.001°
• β: 75.547 ± 0.001°
• γ: 72.994 ± 0.001°
• Cell volume: 1077.91 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No