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Information card for entry 1551448
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| Coordinates | 1551448.cif |
|---|---|
| Structure factors | 1551448.hkl |
| Original paper (by DOI) | HTML |
| Formula | C24 H10 Br4 |
|---|---|
| Calculated formula | C24 H10 Br4 |
| SMILES | C(=C(C#Cc1ccccc1)C#CC#CC(=C(Br)Br)C#Cc1ccccc1)(Br)Br |
| Title of publication | Polyyne formation via skeletal rearrangement induced by atomic manipulation |
| Authors of publication | Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 853 - 858 |
| a | 12.0069 ± 0.0004 Å |
| b | 3.9729 ± 0.0002 Å |
| c | 22.0798 ± 0.0007 Å |
| α | 90° |
| β | 100.208 ± 0.003° |
| γ | 90° |
| Cell volume | 1036.58 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections | 0.1282 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0504 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216016 (current) | 2019-06-17 | cif/ hkl/ Adding structures of 1551448 via cif-deposit CGI script. |
1551448.cif 1551448.hkl |
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