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Information card for entry 2241172
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| Coordinates | 2241172.cif |
|---|---|
| Structure factors | 2241172.hkl |
| Original IUCr paper | HTML |
| Common name | tris(3-methylpyrazol-1-yl)methane |
|---|---|
| Chemical name | 1,1',1''-Methanetriyltris(3-methyl-1<i>H</i>-pyrazole) |
| Formula | C13 H16 N6 |
| Calculated formula | C13 H16 N6 |
| Title of publication | Crystal structure of tris(3-methyl-1<i>H</i>-pyrazol-1-yl)methane |
| Authors of publication | Goodman, Margaret A.; Goodman, M. Scott; Nazarenko, Alexander Y.; Patel, Ealin N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o816 |
| a | 12.0881 ± 0.0008 Å |
| b | 13.4178 ± 0.001 Å |
| c | 9.0985 ± 0.0006 Å |
| α | 90° |
| β | 111.63 ± 0.002° |
| γ | 90° |
| Cell volume | 1371.82 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241172.cif 2241172.hkl |
| 159554 | 2015-10-03 | cif/ hkl/ Adding structures of 2241172 via cif-deposit CGI script. |
2241172.cif 2241172.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.