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Information card for entry 2241158
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| Coordinates | 2241158.cif |
|---|---|
| Structure factors | 2241158.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methoxy-1-nitronaphthalene |
|---|---|
| Formula | C11 H9 N O3 |
| Calculated formula | C11 H9 N O3 |
| SMILES | c1(c(ccc2c1cccc2)OC)N(=O)=O |
| Title of publication | Crystal structure of 2-methoxy-1-nitronaphthalene |
| Authors of publication | Yassine, Hasna; Khouili, Mostafa; El Ammari, Lahcen; Saadi, Mohamed; Ketatni, El Mostafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o701 - o702 |
| a | 9.1291 ± 0.0004 Å |
| b | 10.2456 ± 0.0004 Å |
| c | 10.5215 ± 0.0004 Å |
| α | 86.39 ± 0.002° |
| β | 82.964 ± 0.002° |
| γ | 85.801 ± 0.002° |
| Cell volume | 972.63 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241158.cif 2241158.hkl |
| 158405 | 2015-09-26 | cif/ hkl/ Adding structures of 2241158 via cif-deposit CGI script. |
2241158.cif 2241158.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.