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Information card for entry 2238464
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| Coordinates | 2238464.cif |
|---|---|
| Structure factors | 2238464.hkl |
| Original IUCr paper | HTML |
| Common name | Amitraz |
|---|---|
| Chemical name | dimethylphenyl)carboximidoyl]-<i>N</i>-methylmethanimidamide |
| Formula | C19 H23 N3 |
| Calculated formula | C19 H23 N3 |
| SMILES | CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C |
| Title of publication | Amitraz |
| Authors of publication | Lee, Sangjin; Kim, Tae Ho; Shin, Yong Woon; Jeon, Youngeun; Kim, Jineun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1300 |
| a | 11.9362 ± 0.0011 Å |
| b | 7.511 ± 0.0007 Å |
| c | 37.514 ± 0.003 Å |
| α | 90° |
| β | 91.65 ± 0.002° |
| γ | 90° |
| Cell volume | 3361.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1337 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1476 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 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 2/23/84. |
2238464.cif 2238464.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. |
2238464.cif 2238464.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238464.cif 2238464.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238464.cif 2238464.hkl |
| 88331 | 2013-09-04 | cif/ Adding structures of 2238464 via cif-deposit CGI script. |
2238464.cif |
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Users of the data should acknowledge the original authors of the
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