Information card for entry 7159475

Structure parameters

• Formula: C47 H44 N O7 P
• Calculated formula: C47 H44 N O7 P
• SMILES: P1(=O)(OC([C@@H]2OC(O[C@H]2C(O1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1ccc(cc1)C
• Title of publication: α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids.
• Authors of publication: Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 6180 - 6191
• a: 9.466 ± 0.004 Å
• b: 16.073 ± 0.006 Å
• c: 26.339 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4007 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No