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Information card for entry 2241507
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| Coordinates | 2241507.cif |
|---|---|
| Structure factors | 2241507.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(Diethylamino)phenol |
|---|---|
| Formula | C10 H15 N O |
| Calculated formula | C10 H15 N O |
| SMILES | Oc1cc(N(CC)CC)ccc1 |
| Title of publication | Crystal structure of 3-(diethylamino)phenol |
| Authors of publication | Golen, James A.; McDonald, Kyle J.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1075 |
| a | 14.5166 ± 0.0017 Å |
| b | 15.9102 ± 0.0018 Å |
| c | 16.0527 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3707.6 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 119.97 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241507.cif 2241507.hkl |
| 174760 | 2016-01-22 | cif/ hkl/ Adding structures of 2241507 via cif-deposit CGI script. |
2241507.cif 2241507.hkl |
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Users of the data should acknowledge the original authors of the
structural data.