Information card for entry 7211318

Structure parameters

• Formula: C33 H27 N9 O3
• Calculated formula: C33 H27 N9 O3
• SMILES: CCc1c(c2nnc(c3ccncc3)o2)c(CC)c(c2nnc(c3ccncc3)o2)c(CC)c1c1nnc(c2ccncc2)o1
• Title of publication: A self-assembled Pd6L8 nanoball for Suzuki‒Miyaura coupling reactions in both homogeneous and heterogeneous formats
• Authors of publication: Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Yu, Yang; Wang, Peng; Li, Yan-An; Wang, Kui; Dong, Yu-Bin
• Journal of publication: Green Chemistry
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 3150
• a: 16.032 ± 0.004 Å
• b: 11.544 ± 0.003 Å
• c: 32.695 ± 0.007 Å
• α: 90°
• β: 90.772 ± 0.004°
• γ: 90°
• Cell volume: 6050 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1221
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No