Information card for entry 7212282

Structure parameters

• Formula: C12 H17 N O4
• Calculated formula: C12 H17 N O4
• SMILES: O1[C@]23N(C(=O)C[C@H]2CCC3)[C@@H]([C@H]1C)C(=O)OC
• Title of publication: Solvent-free microwave-assisted Meyers’ lactamization
• Authors of publication: Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 961
• a: 17.5352 ± 0.0008 Å
• b: 7.6758 ± 0.0004 Å
• c: 10.0025 ± 0.0004 Å
• α: 90°
• β: 113.78 ± 0.003°
• γ: 90°
• Cell volume: 1232 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No