Information card for entry 2233462

Structure parameters

• Chemical name: 1,5-Bis[(2-methoxyethoxy)methyl]-1,5-naphthyridine- 4,8(1<i>H</i>,5<i>H</i>)-dione
• Formula: C16 H22 N2 O6
• Calculated formula: C16 H22 N2 O6
• SMILES: COCCOCn1ccc(=O)c2c1c(=O)ccn2COCCOC
• Title of publication: 1,5-Bis[(2-methoxyethoxy)methyl]-1,5-naphthyridine-4,8(1<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Wang, Kunyan; Chen, Chen; Jiang, Peng; Shi, Lu; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o280
• a: 7.161 ± 0.0014 Å
• b: 11.497 ± 0.002 Å
• c: 10.734 ± 0.002 Å
• α: 90°
• β: 105.45 ± 0.03°
• γ: 90°
• Cell volume: 851.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes