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Information card for entry 2230351
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| Coordinates | 2230351.cif |
|---|---|
| Structure factors | 2230351.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Methoxy-2-methylanilino)-1,2-diphenylethanone |
|---|---|
| Formula | C22 H21 N O2 |
| Calculated formula | C22 H21 N O2 |
| SMILES | C(=O)(c1ccccc1)C(c1ccccc1)Nc1c(cc(cc1)OC)C |
| Title of publication | 2-(4-Methoxy-2-methylanilino)-1,2-diphenylethanone |
| Authors of publication | Arslan, Hakan; Algul, Oztekin; Zirek, Selin; Tari, Ozden; Demircan, Aydın; Hardcastle, Kenneth I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1303 |
| a | 12.57 ± 0.012 Å |
| b | 8.009 ± 0.008 Å |
| c | 18.091 ± 0.017 Å |
| α | 90° |
| β | 100.544 ± 0.015° |
| γ | 90° |
| Cell volume | 1791 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181225 (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 2/23/03. |
2230351.cif 2230351.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. |
2230351.cif 2230351.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2230351.cif 2230351.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230351.cif 2230351.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. | 2230351.cif 2230351.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230351.cif 2230351.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230351.cif 2230351.hkl |
| 22331 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230351 via cif-deposit CGI script. |
2230351.cif |
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Users of the data should acknowledge the original authors of the
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