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Information card for entry 7203312
Preview
| Coordinates | 7203312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone |
|---|---|
| Chemical name | 2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone |
| Formula | C20 H13 Cl3 N6 O3.5 |
| Calculated formula | C20 H12 Cl3 N6 O3.5 |
| Title of publication | Self-assembled organic tubular host for van der Waals guest inclusion |
| Authors of publication | Saha, Binoy K.; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 6 |
| Pages of publication | 440 |
| a | 6.2589 ± 0.0005 Å |
| b | 10.1316 ± 0.0008 Å |
| c | 16.8663 ± 0.0013 Å |
| α | 86.024 ± 0.001° |
| β | 87.527 ± 0.001° |
| γ | 88.201 ± 0.001° |
| Cell volume | 1065.54 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203312.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203312.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203312.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203312.cif |
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.