Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7051965
Preview
| Coordinates | 7051965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H24 O2 |
|---|---|
| Calculated formula | C27 H24 O2 |
| SMILES | O(C(=O)c1ccc(/C=C(/c2ccc(cc2)C)C#Cc2ccc(cc2)C)cc1)CC |
| Title of publication | Microwave-promoted hydrogenation and alkynylation reactions with palladium-loaded multi-walled carbon nanotubes |
| Authors of publication | Olivier, Jean-Hubert; Camerel, Franck; Ziessel, Raymond; Retailleau, Pascal; Amadou, Julien; Pham-Huu, Cuong |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2008 |
| Journal volume | 32 |
| Journal issue | 6 |
| Pages of publication | 920 |
| a | 5.644 ± 0.001 Å |
| b | 12.047 ± 0.002 Å |
| c | 16.159 ± 0.002 Å |
| α | 82.02 ± 0.05° |
| β | 82.48 ± 0.05° |
| γ | 81.9 ± 0.04° |
| Cell volume | 1070.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7051965.cif |
| 180073 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/19. |
7051965.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7051965.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7051965.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7051965.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.