Information card for entry 4131660

Structure parameters

• Formula: C50 H43 F24 N5 P4
• Calculated formula: C50 H43 F24 N5 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: 9.6412 ± 0.0003 Å
• b: 11.9525 ± 0.0004 Å
• c: 13.9387 ± 0.0004 Å
• α: 83 ± 0.003°
• β: 73.214 ± 0.002°
• γ: 71.465 ± 0.002°
• Cell volume: 1457.24 ± 0.08 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250.03 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: 0.1093
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.313
• Weighted residual factors for all reflections included in the refinement: 0.3339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No