Information card for entry 4125642

Structure parameters

• Formula: C62 H52 O P2 S12 V
• Calculated formula: C62 H52 O P2 S12 V
• Title of publication: Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.
• Authors of publication: Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 3196 - 3201
• a: 29.6889 ± 0.0013 Å
• b: 14.9613 ± 0.0007 Å
• c: 14.8859 ± 0.0007 Å
• α: 90°
• β: 115.211 ± 0.002°
• γ: 90°
• Cell volume: 5982.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.94 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.3212
• Weighted residual factors for all reflections included in the refinement: 0.3219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No