Information card for entry 1553072

Structure parameters

• Formula: C22 H23 N O2
• Calculated formula: C22 H23 N O2
• SMILES: N1(C(=O)c2c(/C1=C/c1ccc(OC)cc1)cccc2)C1CCCCC1
• 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: 9.1264 ± 0.0005 Å
• b: 9.7169 ± 0.0006 Å
• c: 10.2731 ± 0.0007 Å
• α: 95.504 ± 0.004°
• β: 91.157 ± 0.004°
• γ: 101.221 ± 0.004°
• Cell volume: 888.78 ± 0.1 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: 0.0822
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No