Information card for entry 4125690

Structure parameters

• Formula: C27 H33 B N2 O4
• Calculated formula: C27 H33 B N2 O4
• Title of publication: Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.
• Authors of publication: McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 5
• Pages of publication: 1726 - 1729
• a: 20.4678 ± 0.0007 Å
• b: 7.5827 ± 0.0003 Å
• c: 32.8729 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5101.9 ± 0.3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.649
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No