Information card for entry 1553068

Structure parameters

• Formula: C15 H11 N O2
• Calculated formula: C15 H11 N O2
• SMILES: C1(=O)c2ccccc2C(=O)N1Cc1ccccc1
• Title of publication: Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds
• Authors of publication: Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 312
• a: 7.1432 ± 0.0004 Å
• b: 8.4932 ± 0.0004 Å
• c: 10.1874 ± 0.0005 Å
• α: 99.388 ± 0.002°
• β: 97.577 ± 0.002°
• γ: 106.771 ± 0.002°
• Cell volume: 573.27 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No