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CIF Information Card
Information card for 2200002
2200001 << 2200002 >> 2200003Preview
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Coordinates |
2200002.cif |
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Structure factors |
2200002.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl- 8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,5-d]pyrimidin-4(3H)-one |
| Formula | - C28 H23 Cl4 N3 O2 S - |
| Calculated formula | - C28 H23 Cl4 N3 O2 S - |
| Title of publication | 2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl- 8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,5-<i>d</i>]pyrimidin-4(3<i>H</i>)-one |
| Authors of publication | Liu, Jian-Chao; He, Hong-Wu; Ding, Ming-Wu |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3686 - o3687 |
| a | 18.564 ± 0.003 Å |
| b | 10.6834 ± 0.0017 Å |
| c | 28.51 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5654.3 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.1142 |
| Residual factor for observed reflections | 0.087 |
| Weighted residual factors for the observed reflections | 0.195 |
| Weighted residual factors for all reflections included in the refinement | 0.2112 |
| Goodness-of-fit parameter for observed reflections | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |