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Information card for entry 2241376
Preview
| Coordinates | 2241376.cif |
|---|---|
| Structure factors | 2241376.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-Methoxyphenyl)[(4-methoxyphenyl)phosphonato]dioxidophosphate(1-) 2-amino-6-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridin-6-ium |
|---|---|
| Formula | C31 H36 N2 O9 P2 S |
| Calculated formula | C31 H36 N2 O9 P2 S |
| Title of publication | Crystal structure of (4-methoxyphenyl)[(4-methoxyphenyl)phosphonato]dioxidophosphate(1{-}) 2-amino-6-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridin-6-ium |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Ahmed, Essam K.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o997 - o998 |
| a | 12.443 ± 0.002 Å |
| b | 15.194 ± 0.003 Å |
| c | 17.856 ± 0.003 Å |
| α | 107.099 ± 0.002° |
| β | 90.376 ± 0.002° |
| γ | 96.899 ± 0.002° |
| Cell volume | 3200.1 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1392 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241376.cif 2241376.hkl |
| 170608 | 2015-11-29 | cif/ hkl/ Adding structures of 2241376 via cif-deposit CGI script. |
2241376.cif 2241376.hkl |
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Users of the data should acknowledge the original authors of the
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