Information card for entry 4032250

Structure parameters

• Formula: C49 H72 Cl N O11 P
• Calculated formula: C49 Cl N1.5 O10.5 P
• SMILES: [P@](=O)(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)(c1ccccc1)[C@H](N[C@@H]1O[C@@H]([C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)COC(=O)C(C)(C)C)c1ccc(Cl)cc1
• Title of publication: Diastereoselective Synthesis of Adjacent P,C-Stereogenic β-N-Glycosidic Linked α-Aminophosphinates.
• Authors of publication: Liu, Shuang; Li, Yuming; Yin, Zhiyu; Yu, Qiuli; Miao, Zhiwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2481 - 2488
• a: 12.3866 ± 0.00018 Å
• b: 27.0237 ± 0.0004 Å
• c: 16.157 ± 0.0003 Å
• α: 90°
• β: 103.096 ± 0.0015°
• γ: 90°
• Cell volume: 5267.6 ± 0.15 ų
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.622
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No