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Information card for entry 2232159
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| Coordinates | 2232159.cif |
|---|---|
| Structure factors | 2232159.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Methyl-<i>N</i>-(4-methylphenyl)benzamide |
|---|---|
| Formula | C15 H15 N O |
| Calculated formula | C15 H15 N O |
| Title of publication | 3-Methyl-<i>N</i>-(4-methylphenyl)benzamide |
| Authors of publication | Rodrigues, Vinola Z.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2894 |
| a | 5.2694 ± 0.0002 Å |
| b | 14.0877 ± 0.0005 Å |
| c | 16.5665 ± 0.0009 Å |
| α | 90° |
| β | 92.588 ± 0.004° |
| γ | 90° |
| Cell volume | 1228.54 ± 0.09 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0825 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.827 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (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 2/23/21. |
2232159.cif 2232159.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. |
2232159.cif 2232159.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232159.cif 2232159.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. | 2232159.cif 2232159.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232159.cif 2232159.hkl |
| 30803 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232159 via cif-deposit CGI script. |
2232159.cif |
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Users of the data should acknowledge the original authors of the
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