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Information card for entry 2239139
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| Coordinates | 2239139.cif |
|---|---|
| Structure factors | 2239139.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>-Dimethyl-4-(pyren-1-yl)aniline |
|---|---|
| Formula | C24 H19 N |
| Calculated formula | C24 H19 N |
| SMILES | CN(c1ccc(cc1)c1ccc2c3c1ccc1c3c(cc2)ccc1)C |
| Title of publication | <i>N</i>,<i>N</i>-Dimethyl-4-(pyren-1-yl)aniline |
| Authors of publication | Thekku Veedu, Sreevidya; Scholz, Mirko; Kia, Reza; Paulmann, Carsten; Techert, Simone |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o16 |
| a | 6.127 ± 0.0012 Å |
| b | 30.686 ± 0.006 Å |
| c | 9.478 ± 0.003 Å |
| α | 90° |
| β | 113.35 ± 0.02° |
| γ | 90° |
| Cell volume | 1636 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.6 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239139.cif 2239139.hkl |
| 181310 | 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 2/23/91. |
2239139.cif 2239139.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. |
2239139.cif 2239139.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2239139.cif 2239139.hkl |
| 105028 | 2014-03-11 | cif/ hkl/ Adding structures of 2239139 via cif-deposit CGI script. |
2239139.cif 2239139.hkl |
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Users of the data should acknowledge the original authors of the
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