Information card for entry 4121671

Structure parameters

• Formula: C34 H37 B F15 N
• Calculated formula: C34 H36.6764 B F15 N
• Title of publication: An electrochemical study of frustrated lewis pairs: a metal-free route to hydrogen oxidation.
• Authors of publication: Lawrence, Elliot J.; Oganesyan, Vasily S.; Hughes, David L.; Ashley, Andrew E.; Wildgoose, Gregory G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 16
• Pages of publication: 6031 - 6036
• a: 10.141 ± 0.004 Å
• b: 18.471 ± 0.007 Å
• c: 18.792 ± 0.007 Å
• α: 90°
• β: 100.504 ± 0.007°
• γ: 90°
• Cell volume: 3461 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No