Information card for entry 7222111

Structure parameters

• Formula: C18 H31 N O4
• Calculated formula: C18 H31 N O4
• SMILES: C1(=O)C(=C[C@](C(C)(C)C)([C@@H](C(=O)NCCCC)O)O1)C(C)(C)C.C1(=O)C(=C[C@@](C(C)(C)C)([C@H](C(=O)NCCCC)O)O1)C(C)(C)C
• Title of publication: Electrode instead of catalyst and enzyme. A greener protocol for the synthesis of new 2-hydroxyacetamide derivatives containing a γ-lactone ring
• Authors of publication: Maleki, Abbas; Nematollahi, Davood; Rasouli, Fereshteh; Zeinodini-Meimand, Azam
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 672
• a: 9.384 ± 0.002 Å
• b: 10.484 ± 0.002 Å
• c: 11.281 ± 0.002 Å
• α: 102.829 ± 0.017°
• β: 94.191 ± 0.018°
• γ: 113.456 ± 0.018°
• Cell volume: 976.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No