Information card for entry 4106724

Structure parameters

• Formula: C17 H26 B N O5
• Calculated formula: C17 H26 B N O5
• SMILES: [B]12([N](CC(=O)O1)(CC(=O)O2)[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C)[C@@H]1O[C@H]1C
• 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: 7.4261 ± 0.0006 Å
• b: 10.3634 ± 0.0008 Å
• c: 11.3317 ± 0.0009 Å
• α: 90°
• β: 99.312 ± 0.003°
• γ: 90°
• Cell volume: 860.59 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No