Information card for entry 4021752

Structure parameters

• Formula: C58 H66 N6 O14
• Calculated formula: C58 H66 N6 O14
• SMILES: C1(=O)c2c3C(=O)N1Cc1c(OCCCC)cc(OCCCC)c(CN4C(=O)c5c(cc6C(=O)N(C(=O)c6c5)Cc5c(OCCCC)cc(OCCCC)c(CN6C(=O)c(c(c3)C6=O)c2)c5)C4=O)c1.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol
• Authors of publication: Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4723 - 4733
• a: 9.721 ± 0.001 Å
• b: 9.8697 ± 0.0006 Å
• c: 14.583 ± 0.001 Å
• α: 88.249 ± 0.004°
• β: 74.925 ± 0.004°
• γ: 86.837 ± 0.004°
• Cell volume: 1348.7 ± 0.2 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No