Information card for entry 2203469

Structure parameters

• Chemical name: Ethyl 4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-ylmethyl)piperazine-1-carboxylate
• Formula: C14 H20 N2 O5
• Calculated formula: C14 H20 N2 O5
• SMILES: CCOC(=O)N1CCN(CC1)Cc1oc(cc(=O)c1O)C
• Title of publication: Ethyl 4-(3-hydroxy-6-methyl-4-oxo-4<i>H</i>-pyran-2-ylmethyl)piperazine-1-carboxylate
• Authors of publication: Ocak, Nazan; Işık, Şamil; Dilsiz Aytemir, Mutlu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o561 - o563
• a: 24.069 ± 0.003 Å
• b: 6.1796 ± 0.0004 Å
• c: 19.788 ± 0.002 Å
• α: 90°
• β: 95.513 ± 0.008°
• γ: 90°
• Cell volume: 2929.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes