Information card for entry 7112762

Structure parameters

• Formula: C16 H19 N O6
• Calculated formula: C16 H19 N O6
• SMILES: [C@@H]1(C(C[C@@H](C\1=N\O)CO)(C(=O)OC)C(=O)OC)c1ccccc1
• Title of publication: One-pot asymmetric cyclocarbohydroxylation sequence for the enantioselective synthesis of functionalised cyclopentanes.
• Authors of publication: Raimondi, Wilfried; Lettieri, Grégory; Dulcère, Jean-Pierre; Bonne, Damien; Rodriguez, Jean
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 7247 - 7249
• a: 6.9284 ± 0.0001 Å
• b: 7.6008 ± 0.0002 Å
• c: 31.6931 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No