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Information card for entry 2235126
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| Coordinates | 2235126.cif |
|---|---|
| Structure factors | 2235126.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Phenethoxyaniline hemihydrate |
|---|---|
| Formula | C14 H16 N O1.5 |
| Calculated formula | C14 H16 N O1.5 |
| Title of publication | 4-Phenethoxyaniline hemihydrate |
| Authors of publication | Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; McKee, Vickie |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o1912 |
| a | 11.6046 ± 0.0008 Å |
| b | 13.1937 ± 0.001 Å |
| c | 7.9114 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1211.3 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 27 |
| Hermann-Mauguin space group symbol | P c c 2 |
| Hall space group symbol | P 2 -2c |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192352 (current) | 2017-02-20 | cif/2/23/51/ (antanas@kurmis) Marking atom 'X1A' as a dummy atom in entry 2235126. |
2235126.cif 2235126.hkl |
| 181273 | 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 2/23/51. |
2235126.cif 2235126.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2235126.cif 2235126.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235126.cif 2235126.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. | 2235126.cif 2235126.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235126.cif 2235126.hkl |
| 61802 | 2012-07-05 | cif/ Adding structures of 2235126 via cif-deposit CGI script. |
2235126.cif |
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Users of the data should acknowledge the original authors of the
structural data.