Information card for entry 4124288

Structure parameters

• Formula: C36 H32 F6 N4 P
• Calculated formula: C36 H32 F6 N4 P
• Title of publication: Redox Control of the Binding Modes of an Organic Receptor.
• Authors of publication: Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 34
• Pages of publication: 11057 - 11068
• a: 9.9084 ± 0.0004 Å
• b: 26.6982 ± 0.0009 Å
• c: 15.8321 ± 0.0006 Å
• α: 90°
• β: 99.632 ± 0.002°
• γ: 90°
• Cell volume: 4129.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.2768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No