Information card for entry 4127940

Structure parameters

• Formula: C84 H80 F24 N6 O12 P4
• Calculated formula: C84 H80 F24 N6 O12 P4
• Title of publication: Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.
• Authors of publication: Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16915 - 16922
• a: 44.908 ± 0.002 Å
• b: 17.6979 ± 0.0008 Å
• c: 27.658 ± 0.0012 Å
• α: 90°
• β: 113.317 ± 0.002°
• γ: 90°
• Cell volume: 20186.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No