Information card for entry 1551594
| Formula |
C23 H29 N5 O5 |
| Calculated formula |
C23 H29 N5 O5 |
| SMILES |
C(=O)(Nc1cc2cnc(cc2n(c1=O)C)NCCN(C)C)c1cc(OC)c(OC)c(OC)c1 |
| Title of publication |
Crystal Structure of <i>N</i>-(7-{[2-(Dimethylamino)ethyl]amino}-1-methyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-3,4,5-trimethoxybenzamide |
| Authors of publication |
GUILLON, Jean; MONTOIR, David; MARCHIVIE, Mathieu; DUFLOS, Muriel; BAZIN, Marc-Antoine |
| Journal of publication |
X-ray Structure Analysis Online |
| Year of publication |
2017 |
| Journal volume |
33 |
| Journal issue |
0 |
| Pages of publication |
41 |
| a |
9.3554 ± 0.0004 Å |
| b |
11.445 ± 0.0005 Å |
| c |
11.5629 ± 0.0004 Å |
| α |
87.14 ± 0.002° |
| β |
78.807 ± 0.0019° |
| γ |
69.2119 ± 0.0019° |
| Cell volume |
1135.21 ± 0.08 Å3 |
| Cell temperature |
200 K |
| Ambient diffraction temperature |
200 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0915 |
| Residual factor for significantly intense reflections |
0.0492 |
| Weighted residual factors for significantly intense reflections |
0.1175 |
| Weighted residual factors for all reflections included in the refinement |
0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.012 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1551594.html
