Information card for entry 1550401

Structure parameters

• Formula: C77 H66 Cl2 N10 O12
• Calculated formula: C77 H68 Cl2 N10 O12
• SMILES: c12cccc(C(=O)Nc3ccccc3/N=C/c3cc(ccc3O)Cc3ccc(c(c3)/C=N/c3ccccc3NC(=O)c3cccc(C(=O)Nc4ccccc4/N=C/c4cc(ccc4O)Cc4ccc(c(c4)/C=N/c4ccccc4NC1=O)O)n3)O)n2.C(Cl)Cl.CC(=O)OCC.CC(=O)OCC
• Title of publication: Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction
• Authors of publication: Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 490
• a: 13.861 ± 0.005 Å
• b: 15.962 ± 0.006 Å
• c: 17.258 ± 0.006 Å
• α: 69.871 ± 0.006°
• β: 75.157 ± 0.006°
• γ: 81.221 ± 0.007°
• Cell volume: 3457 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2728
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No