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Information card for entry 2239339
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| Coordinates | 2239339.cif |
|---|---|
| Structure factors | 2239339.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate |
|---|---|
| Formula | C11 H10 N2 O3 |
| Calculated formula | C11 H10 N2 O3 |
| Title of publication | 2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate |
| Authors of publication | dos Santos, Alexsandro F.; Cristiano, Rodrigo; Athayde-Filho, Petrônio F.; Bortoluzzi, Adailton J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o559 |
| a | 6.6335 ± 0.0006 Å |
| b | 16.925 ± 0.003 Å |
| c | 9.5078 ± 0.0006 Å |
| α | 90° |
| β | 92.113 ± 0.006° |
| γ | 90° |
| Cell volume | 1066.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239339.cif 2239339.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239339.cif 2239339.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239339.cif 2239339.hkl |
| 109622 | 2014-04-17 | cif/ hkl/ Adding structures of 2239339 via cif-deposit CGI script. |
2239339.cif 2239339.hkl |
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Users of the data should acknowledge the original authors of the
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