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Information card for entry 2240003
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| Coordinates | 2240003.cif |
|---|---|
| Structure factors | 2240003.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate |
|---|---|
| Formula | C15 H20 Br N O2 |
| Calculated formula | C15 H20 Br N O2 |
| Title of publication | Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate |
| Authors of publication | Zukerman-Schpector, Julio; Caracelli, I.; Stefani, Hélio A.; Khan, Amna N.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1122 - o1123 |
| a | 11.8746 ± 0.0006 Å |
| b | 12.2023 ± 0.0005 Å |
| c | 13.776 ± 0.0006 Å |
| α | 97.557 ± 0.003° |
| β | 110.52 ± 0.002° |
| γ | 113.866 ± 0.002° |
| Cell volume | 1620.2 ± 0.14 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240003.cif 2240003.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240003.cif 2240003.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240003.cif 2240003.hkl |
| 124349 | 2014-09-28 | cif/ hkl/ Adding structures of 2240003 via cif-deposit CGI script. |
2240003.cif 2240003.hkl |
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Users of the data should acknowledge the original authors of the
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