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Information card for entry 1505131
Preview
| Coordinates | 1505131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H15 N O |
|---|---|
| Calculated formula | C21 H15 N O |
| SMILES | O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C#C |
| Title of publication | Metal-Free, Regioselective Diyne Polycyclotrimerization: Synthesis, Photoluminescence, Solvatochromism, and Two-Photon Absorption of a Triphenylamine-Containing Hyperbranched Poly(aroylarylene) |
| Authors of publication | Qin, Anjun; Lam, Jacky W. Y.; Dong, Hongchen; Lu, Weixin; Jim, Cathy K. W.; Dong, Yongqiang; Häussler, Matthias; 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 | 14 |
| Pages of publication | 4879 |
| a | 15.3215 ± 0.0015 Å |
| b | 10.6382 ± 0.0011 Å |
| c | 9.4347 ± 0.0009 Å |
| α | 90° |
| β | 95.448 ± 0.002° |
| γ | 90° |
| Cell volume | 1530.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
1505131.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. |
1505131.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505131.cif |
| 45370 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505131 via cif-deposit CGI script. |
1505131.cif |
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Users of the data should acknowledge the original authors of the
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