Information card for entry 4131661

Structure parameters

• Formula: C60 H58 F24 N10 P4
• Calculated formula: C60 H58 F24 N10 P4
• Title of publication: Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.
• Authors of publication: Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 40
• Pages of publication: 14265 - 14276
• a: 7.3123 ± 0.0002 Å
• b: 12.901 ± 0.0003 Å
• c: 19.3466 ± 0.0005 Å
• α: 88.7203 ± 0.0015°
• β: 89.3061 ± 0.0017°
• γ: 88.8464 ± 0.0016°
• Cell volume: 1824.13 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No