Information card for entry 2009377

Structure parameters

• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: COC[C@H]1CN(C(=O)O1)c1ccc(cc1)OC
• Title of publication: Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one
• Authors of publication: Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 97 - 100
• a: 7.295 ± 0.003 Å
• b: 25.653 ± 0.005 Å
• c: 6.321 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1182.9 ± 0.7 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0545
• Goodness-of-fit parameter for significantly intense reflections: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No