Information card for entry 4106722

Structure parameters

• Formula: C17 H26 B N O4
• Calculated formula: C17 H26 B N O4
• SMILES: [N]12([B](OC(=O)C1)(OC(=O)C2)/C=C/C)[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C
• Title of publication: Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks
• Authors of publication: Junqi Li; Martin D. Burke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13774 - 13777
• a: 7.217 ± 0.003 Å
• b: 10.952 ± 0.004 Å
• c: 10.924 ± 0.004 Å
• α: 90°
• β: 93.419 ± 0.006°
• γ: 90°
• Cell volume: 861.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No