Information card for entry 4133042

Structure parameters

• Formula: C50 H44 F24 N4 O2.25 P4
• Calculated formula: C50 H43.9996 F24 N4 O2.25 P4
• Title of publication: Covalent Radical Pairs as Spin Qubits: Influence of Rapid Electron Motion between Two Equivalent Sites on Spin Coherence.
• Authors of publication: Wu, Yilei; Zhou, Jiawang; Nelson, Jordan N.; Young, Ryan M.; Krzyaniak, Matthew D.; Wasielewski, Michael R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 13011 - 13021
• a: 8.4372 ± 0.0004 Å
• b: 9.7417 ± 0.0005 Å
• c: 17.5976 ± 0.0008 Å
• α: 103.786 ± 0.003°
• β: 103.714 ± 0.003°
• γ: 91.567 ± 0.003°
• Cell volume: 1359.28 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0804
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No