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Information card for entry 2236793
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| Coordinates | 2236793.cif |
|---|---|
| Structure factors | 2236793.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Common name | fenoxycarb |
|---|---|
| Chemical name | Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate |
| Formula | C17 H19 N O4 |
| Calculated formula | C17 H19 N O4 |
| SMILES | O(c1ccccc1)c1ccc(OCCNC(=O)OCC)cc1 |
| Title of publication | Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate |
| Authors of publication | Karpinska, Jolanta; Kuhs, Manuel; Rasmuson, Ake; Erxleben, Andrea; McArdle, Patrick |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o2834 - o2835 |
| a | 5.9035 ± 0.0003 Å |
| b | 7.5712 ± 0.0004 Å |
| c | 35.373 ± 0.002 Å |
| α | 85.618 ± 0.005° |
| β | 86.213 ± 0.005° |
| γ | 89.046 ± 0.004° |
| Cell volume | 1572.88 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1401 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2236793.cif 2236793.hkl |
| 201979 | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236793.cif 2236793.hkl |
| 181289 | 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 2/23/67. |
2236793.cif 2236793.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. |
2236793.cif 2236793.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236793.cif 2236793.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236793.cif 2236793.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236793.cif 2236793.hkl |
| 70402 | 2012-12-21 | cif/ Adding structures of 2236793 via cif-deposit CGI script. |
2236793.cif |
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.