Information card for entry 4035614

Structure parameters

• Formula: C17 H25 N O6
• Calculated formula: C17 H25 N O6
• SMILES: c1(ccccc1[C@@H]([C@@H](C(=O)OCC)NC(=O)OC(C)(C)C)O)OC.c1(ccccc1[C@H]([C@H](C(=O)OCC)NC(=O)OC(C)(C)C)O)OC
• Title of publication: Access to Anti or Syn 2-Amino-1,3-diol Scaffolds from a Common Decarboxylative Aldol Adduct.
• Authors of publication: Chaumont, Pauline; Baudoux, Jérome; Maddaluno, Jacques; Rouden, Jacques; Harrison-Marchand, Anne
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8081 - 8091
• a: 11.506 ± 0.003 Å
• b: 8.565 ± 0.002 Å
• c: 18.844 ± 0.005 Å
• α: 90°
• β: 104.706 ± 0.004°
• γ: 90°
• Cell volume: 1796.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No