Information card for entry 7215078

Structure parameters

• Formula: C27 H28 N3 O2 P S
• Calculated formula: C27 H28 N3 O2 P S
• SMILES: s1c(P(c2ccccc2)c2ccccc2)c(nc1N(C)C)CC(=O)NCCc1ccc(O)cc1
• Title of publication: An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings
• Authors of publication: Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2807
• a: 9.7499 ± 0.0004 Å
• b: 30.5632 ± 0.0013 Å
• c: 8.5329 ± 0.0003 Å
• α: 90°
• β: 101.967 ± 0.002°
• γ: 90°
• Cell volume: 2487.44 ± 0.17 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No