Information card for entry 4029538

Structure parameters

• Formula: C26 H31 B N2 O6
• Calculated formula: C26 H31 B N2 O6
• SMILES: O1[B]2(O[C@H](C1=O)Cc1ccccc1)OC(=O)[C@@H](O2)Cc1ccccc1.n1(c[n+](cc1)C)CCCC
• Title of publication: Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.
• Authors of publication: Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2576 - 2591
• a: 9.3437 ± 0.0008 Å
• b: 10.8094 ± 0.0009 Å
• c: 13.0215 ± 0.0011 Å
• α: 90°
• β: 104.564 ± 0.001°
• γ: 90°
• Cell volume: 1272.91 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No