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Information card for entry 2228391
Preview
| Coordinates | 2228391.cif |
|---|---|
| Structure factors | 2228391.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ammonium 4-(4-carboxyphenoxy)benzoate |
|---|---|
| Formula | C14 H13 N O5 |
| Calculated formula | C14 H13 N O5 |
| Title of publication | Ammonium 4-(4-carboxyphenoxy)benzoate |
| Authors of publication | Li, He-Ping; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3345 |
| a | 6.1916 ± 0.0001 Å |
| b | 28.5483 ± 0.0006 Å |
| c | 7.1123 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1257.17 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228391.cif 2228391.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228391.cif 2228391.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228391.cif 2228391.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. | 2228391.cif 2228391.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228391.cif 2228391.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228391.cif 2228391.hkl |
| 5782 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228382, 2228383, 2228384, 2228385, 2228386, 2228387, 2228388, 2228389, 2228390, 2228391 via cif-deposit CGI script. |
2228391.cif |
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Users of the data should acknowledge the original authors of the
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