Information card for entry 4127941

Structure parameters

• Formula: C65.6 H63.6 F19.2 N7.6 O4.8 P3.2
• Calculated formula: C65.6 H63.6 F19.2 N7.6 O4.8 P3.2
• 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: 10.9442 ± 0.0007 Å
• b: 16.0723 ± 0.0012 Å
• c: 19.1059 ± 0.0013 Å
• α: 94.246 ± 0.004°
• β: 90.646 ± 0.004°
• γ: 92.596 ± 0.004°
• Cell volume: 3347.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No