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Information card for entry 1557923
Preview
| Coordinates | 1557923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H30 |
|---|---|
| Calculated formula | C44 H30 |
| SMILES | C(#CC#CC(c1ccccc1)(c1ccccc1)c1ccccc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Expedient synthesis of conjugated triynes via alkyne metathesis |
| Authors of publication | Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 4934 - 4938 |
| a | 9.9378 ± 0.0009 Å |
| b | 9.9882 ± 0.0008 Å |
| c | 17.7699 ± 0.0015 Å |
| α | 93.791 ± 0.003° |
| β | 94.905 ± 0.003° |
| γ | 98.931 ± 0.003° |
| Cell volume | 1730.4 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257331 (current) | 2020-10-06 | cif/ Updating files of 1557923, 1557924, 1557925, 1557926, 1557927, 1557928 Original log message: Adding full bibliography for 1557923--1557928.cif. |
1557923.cif |
| 252733 | 2020-06-05 | cif/ Updating files of 1557923, 1557924, 1557925, 1557926, 1557927, 1557928 Original log message: Adding full bibliography for 1557923--1557928.cif. |
1557923.cif |
| 251196 | 2020-04-28 | cif/ Adding structures of 1557923, 1557924, 1557925, 1557926, 1557927, 1557928 via cif-deposit CGI script. |
1557923.cif |
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Users of the data should acknowledge the original authors of the
structural data.