Information card for entry 4103128

Structure parameters

• Formula: C24 H24 B F10 N3
• Calculated formula: C24 H24 B F10 N3
• SMILES: [N]1([B](C(=N\C(C)(C)C)/N(C=1)C(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)C(C)C
• Title of publication: Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules
• Authors of publication: Meghan A. Dureen; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13559 - 13568
• a: 10.3891 ± 0.0004 Å
• b: 11.689 ± 0.0004 Å
• c: 21.6116 ± 0.0007 Å
• α: 90°
• β: 96.453 ± 0.001°
• γ: 90°
• Cell volume: 2607.85 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0779
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No