Information card for entry 1550736

Structure parameters

• Formula: C88 H62 F24 N10 P4 S4
• Calculated formula: C88 H62 F24 N10 P4 S4
• Title of publication: Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor
• Authors of publication: Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.3592 ± 0.0004 Å
• b: 10.5764 ± 0.0004 Å
• c: 19.6578 ± 0.0008 Å
• α: 102.138 ± 0.002°
• β: 95.368 ± 0.002°
• γ: 103.9 ± 0.002°
• Cell volume: 2020.27 ± 0.14 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: 0.0449
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No