Information card for entry 4127942

Structure parameters

• Formula: C71 H70 F24 N9 O6 P4
• Calculated formula: C71 H70 F24 N9 O6 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: 11.3842 ± 0.0006 Å
• b: 18.1455 ± 0.001 Å
• c: 20.4946 ± 0.0011 Å
• α: 112.76 ± 0.005°
• β: 91.764 ± 0.004°
• γ: 102.586 ± 0.005°
• Cell volume: 3778.9 ± 0.4 ų
• Cell temperature: 181.8 K
• Ambient diffraction temperature: 181.8 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: 0.1701
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.3338
• Weighted residual factors for all reflections included in the refinement: 0.3884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No