Information card for entry 4122271

Structure parameters

• Formula: C23 H29 B O3
• Calculated formula: C23 H29 B O3
• SMILES: O(C)c1ccc(C[C@@]2(B3OC(C(O3)(C)C)(C)C)C[C@@H]2c2ccccc2)cc1.O(C)c1ccc(C[C@]2(B3OC(C(O3)(C)C)(C)C)C[C@H]2c2ccccc2)cc1
• Title of publication: Simple Access to Elusive α-Boryl Carbanions and Their Alkylation: An Umpolung Construction for Organic Synthesis.
• Authors of publication: Hong, Kai; Liu, Xun; Morken, James P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10581 - 10584
• a: 12.6769 ± 0.0007 Å
• b: 14.3202 ± 0.0007 Å
• c: 11.4924 ± 0.0006 Å
• α: 90°
• β: 105.27 ± 0.003°
• γ: 90°
• Cell volume: 2012.63 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No