Information card for entry 2233462
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 Å3 |
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 |
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The link is:
https://www.crystallography.net/2233462.html