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Information card for entry 1505129
Preview
| Coordinates | 1505129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C16 H13 N3 O |
|---|---|
| Calculated formula | C16 H13 N3 O |
| SMILES | O=C(c1nnn(c1)Cc1ccccc1)c1ccccc1 |
| Title of publication | Click Polymerization: Facile Synthesis of Functional Poly(aroyltriazole)s by Metal-Free, Regioselective 1,3-Dipolar Polycycloaddition |
| Authors of publication | Qin, Anjun; Jim, Cathy K. W.; Lu, Weixin; Lam, Jacky W. Y.; Häussler, Matthias; Dong, Yongqiang; Sung, Herman H. Y.; Williams, Ian D.; Wong, George K. L.; Tang, Ben Zhong |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 7 |
| Pages of publication | 2308 |
| a | 10.921 ± 0.003 Å |
| b | 11.414 ± 0.003 Å |
| c | 11.879 ± 0.003 Å |
| α | 86.788 ± 0.005° |
| β | 63.327 ± 0.005° |
| γ | 86.606 ± 0.006° |
| Cell volume | 1320.1 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1978 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505129.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505129.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505129.cif |
| 45368 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505129 via cif-deposit CGI script. |
1505129.cif |
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Users of the data should acknowledge the original authors of the
structural data.