Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557928
Preview
| Coordinates | 1557928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 |
|---|---|
| Calculated formula | C24 H18 |
| SMILES | CC#CC#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 | 9.3055 ± 0.0016 Å |
| b | 10.3538 ± 0.0015 Å |
| c | 18.151 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1748.8 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 2 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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 |
|---|---|---|---|
| 276143 (current) | 2022-06-22 | cif/1 Fixing Z values and formulae |
1557928.cif |
| 257331 | 2020-10-06 | cif/ Updating files of 1557923, 1557924, 1557925, 1557926, 1557927, 1557928 Original log message: Adding full bibliography for 1557923--1557928.cif. |
1557928.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. |
1557928.cif |
| 251196 | 2020-04-28 | cif/ Adding structures of 1557923, 1557924, 1557925, 1557926, 1557927, 1557928 via cif-deposit CGI script. |
1557928.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.