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Information card for entry 7025467
Preview
| Coordinates | 7025467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H21 N O2 |
|---|---|
| Calculated formula | C30 H21 N O2 |
| SMILES | O=N(=O)c1ccc(c2c(cc(cc2c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
| Title of publication | A new mechanistic pathway under Sonogashira reaction protocol involving multiple acetylene insertions. |
| Authors of publication | Jones, Roderick C.; Canty, Allan J.; Caradoc-Davies, Tom; Davies, Noel W.; Gardiner, Michael G.; Marriott, Philip J.; Rühle, Christian P G; Tolhurst, Vicki-Anne |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 16 |
| Pages of publication | 3799 - 3801 |
| a | 10.588 ± 0.004 Å |
| b | 10.867 ± 0.005 Å |
| c | 10.92 ± 0.004 Å |
| α | 87.032 ± 0.011° |
| β | 77.218 ± 0.013° |
| γ | 66.155 ± 0.017° |
| Cell volume | 1119.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.76207 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7025467.cif |
| 179960 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54. |
7025467.cif |
| 93064 | 2014-01-12 | cif/ Adding structures of 7025467, 7025468 via cif-deposit CGI script. |
7025467.cif |
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Users of the data should acknowledge the original authors of the
structural data.