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Information card for entry 2241103
Preview
| Coordinates | 2241103.cif |
|---|---|
| Structure factors | 2241103.hkl |
| Original paper (by DOI) | HTML |
| Common name | Morpholinium hydrogen bromanilate |
|---|---|
| Chemical name | Morpholin-4-ium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate |
| Formula | C10 H11 Br2 N O5 |
| Calculated formula | C10 H11 Br2 N O5 |
| Title of publication | Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K |
| Authors of publication | Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | 1226 - 1229 |
| a | 8.62046 ± 0.00019 Å |
| b | 9.2129 ± 0.0002 Å |
| c | 9.4257 ± 0.0002 Å |
| α | 93.5208 ± 0.0007° |
| β | 112.914 ± 0.0007° |
| γ | 115.976 ± 0.0007° |
| Cell volume | 595.05 ± 0.02 Å3 |
| Cell temperature | 130 ± 1 K |
| Ambient diffraction temperature | 130 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0209 |
| Residual factor for significantly intense reflections | 0.0172 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71075 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. |
2241103.cif 2241103.hkl |
| 158358 | 2015-09-26 | cif/ hkl/ Adding structures of 2241103, 2241104, 2241105 via cif-deposit CGI script. |
2241103.cif 2241103.hkl |
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Users of the data should acknowledge the original authors of the
structural data.