Information card for entry 7131691

Structure parameters

• Formula: C21 H24 B N3 O6 S
• Calculated formula: C21 H24 B N3 O6 S
• SMILES: S(=O)(=O)(N/N=C(\CCc1ccccc1)[B]12OC(=O)C[N]2(CC(=O)O1)C)c1ccc(cc1)C
• Title of publication: Chloroacetyl boronate <i>N</i>-tosylhydrazone as a versatile synthetic building block.
• Authors of publication: Miyazaki, Ryuya; Muto, Kei; Yamaguchi, Junichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 48
• Pages of publication: 7419 - 7422
• a: 26.3367 ± 0.0014 Å
• b: 26.3367 ± 0.0014 Å
• c: 6.5069 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4513.3 ± 0.5 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2509
• Weighted residual factors for all reflections included in the refinement: 0.3332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No