Information card for entry 7113282

Structure parameters

• Formula: C20 H27 N O8
• Calculated formula: C20 H27 N O8
• SMILES: c1(cc(ccc1OC)[C@H]([C@@H](CC(=O)OC)C(=O)N1[C@H](COC1=O)C(C)C)O)OC
• Title of publication: Asymmetric aldol reactions under normal and inverse addition modes of the reagents
• Authors of publication: Hajra, Saumen; Giri, Aswini Kumar; Karmakar, Ananta; Khatua, Snehadrinarayan
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2408 - 2410
• a: 8.632 ± 0.002 Å
• b: 10.071 ± 0.003 Å
• c: 12.195 ± 0.002 Å
• α: 90°
• β: 95.043 ± 0.001°
• γ: 90°
• Cell volume: 1056 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101964
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No