Information card for entry 7156878

Structure parameters

• Formula: C12 H16 B N O4
• Calculated formula: C12 H16 B N O4
• Title of publication: Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.
• Authors of publication: Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 5908 - 5912
• a: 11.3174 ± 0.0002 Å
• b: 13.2547 ± 0.0003 Å
• c: 7.8913 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1183.76 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0287
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No