Information card for entry 4021753

Structure parameters

• Formula: C72 H68 N4 O14
• Calculated formula: C72 H68 N4 O14
• 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: 8.061 ± 0.004 Å
• b: 24.011 ± 0.01 Å
• c: 15.935 ± 0.007 Å
• α: 90°
• β: 104.634 ± 0.0015°
• γ: 90°
• Cell volume: 2984 ± 2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No