Information card for entry 4516825

Structure parameters

• Common name: Macrocycle 4
• Formula: C35 H34 N8 O3
• Calculated formula: C35 H34 N8 O3
• SMILES: c12cccc(C(=O)Nc3ccccc3N=Cc3ccc(C(C)(C)c4ccc(C=Nc5ccccc5NC1=O)[nH]4)[nH]3)n2.C(=O)N(C)C
• Title of publication: Solvent-Switched Schiff-Base Macrocycles: Self-Sorting and Self-Assembly-Dependent Unconventional Organic Particles.
• Authors of publication: Chen, Huaiyu; Huang, Chao; Deng, Yaxin; Sun, Qi; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long
• Journal of publication: ACS nano
• Year of publication: 2019
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 2840 - 2848
• a: 11.686 ± 0.007 Å
• b: 12.036 ± 0.007 Å
• c: 22.607 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3180 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No