Information card for entry 7153485

Structure parameters

• Common name: methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-(1,3)oxazolo (3,2- a)pyrazine-3-carboxylate
• Chemical name: methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-[1,3]oxazolo [3,2-a]pyrazine-3-carboxylate
• Formula: C16 H20 N2 O4
• Calculated formula: C16 H20 N2 O4
• SMILES: N12[C@@H](O[C@@H]([C@H]2C(=O)OC)C)CN[C@H](C1=O)Cc1ccccc1
• Title of publication: Chemical genetics approach to identify new small molecule modulators of cell growth by phenotypic screening of Saccharomyces cerevisiae strains with a library of morpholine-derived compounds.
• Authors of publication: Trabocchi, Andrea; Stefanini, Irene; Morvillo, Manfredi; Ciofi, Leonardo; Cavalieri, Duccio; Guarna, Antonio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5552 - 5557
• a: 7.757 ± 0.001 Å
• b: 18.607 ± 0.001 Å
• c: 10.809 ± 0.001 Å
• α: 90°
• β: 92.211 ± 0.002°
• γ: 90°
• Cell volume: 1559 ± 0.3 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: 0.0696
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No