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Information card for entry 2240234
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| Coordinates | 2240234.cif |
|---|---|
| Structure factors | 2240234.hkl |
| Original IUCr paper | HTML |
| Common name | Tetrakis(pyridin-2-yl)methane |
|---|---|
| Chemical name | Tetrakis(pyridin-2-yl)methane |
| Formula | C21 H16 N4 |
| Calculated formula | C21 H16 N4 |
| SMILES | C(c1ncccc1)(c1ccccn1)(c1ccccn1)c1ccccn1 |
| Title of publication | Crystal structure of a second polymorph of tetrakis(pyridin-2-yl)methane |
| Authors of publication | Matsumoto, Kouzou; Kannami, Masaki; Fuyuhiro, Akira; Oda, Masaji |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1277 - o1278 |
| a | 10.6 ± 0.01 Å |
| b | 10.6 ± 0.01 Å |
| c | 7.03 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 789.9 ± 1.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240234.cif 2240234.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240234.cif 2240234.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240234.cif 2240234.hkl |
| 127778 | 2014-11-22 | cif/ hkl/ Adding structures of 2240234 via cif-deposit CGI script. |
2240234.cif 2240234.hkl |
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Users of the data should acknowledge the original authors of the
structural data.