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Information card for entry 2240879
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| Coordinates | 2240879.cif |
|---|---|
| Structure factors | 2240879.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2-Bis(2,6-dimethylphenyl)-3-phenylguanidine |
|---|---|
| Formula | C23 H25 N3 |
| Calculated formula | C23 H25 N3 |
| SMILES | N(c1c(cccc1C)C)C(=N\c1c(cccc1C)C)/Nc1ccccc1 |
| Title of publication | Crystal structure of 1,2-bis(2,6-dimethylphenyl)-3-phenylguanidine |
| Authors of publication | Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o506 - o507 |
| a | 19.003 ± 0.007 Å |
| b | 7.924 ± 0.003 Å |
| c | 13.056 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1966 ± 1.3 Å3 |
| Cell temperature | 194 ± 2 K |
| Ambient diffraction temperature | 194 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240879.cif 2240879.hkl |
| 139738 | 2015-06-28 | cif/ hkl/ Adding structures of 2240879 via cif-deposit CGI script. |
2240879.cif 2240879.hkl |
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Users of the data should acknowledge the original authors of the
structural data.