Information card for entry 1572084

Structure parameters

• Formula: C65 H60 N2 O8
• Calculated formula: C65 H60 N2 O8
• SMILES: c12Cc3c(c4ccc(c5ccncc5)cc4)cc(c(c4ccc(c5ccncc5)cc4)c3)Cc3cc(OC)c(Cc4c(OC)cc(c(OC)c4)Cc4c(OC)cc(Cc(cc1OC)c(OC)c2)c(OC)c4)cc3OC
• Title of publication: Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.
• Authors of publication: Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 13191 - 13200
• a: 12.6808 ± 0.0011 Å
• b: 24.763 ± 0.002 Å
• c: 18.6875 ± 0.0016 Å
• α: 90°
• β: 97.784 ± 0.006°
• γ: 90°
• Cell volume: 5814.1 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No