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Information card for entry 4071779
Preview
| Coordinates | 4071779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H20 O4 |
|---|---|
| Calculated formula | C21 H20 O4 |
| Title of publication | Cascade Reactions of Dialkynyl Fischer Carbene Complexes Involving Intramolecular Alkyne Insertions Oriented to the Synthesis of Functionalized Polycycles |
| Authors of publication | Barluenga, José; Fañanás-Mastral, Martín; Andina, Facundo; Aznar, Fernando; Valdés, Carlos |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3593 |
| a | 8.0964 ± 0.0013 Å |
| b | 8.8792 ± 0.0014 Å |
| c | 12.731 ± 0.002 Å |
| α | 86.206 ± 0.003° |
| β | 75.741 ± 0.003° |
| γ | 71.116 ± 0.003° |
| Cell volume | 839.2 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0546 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071779.cif |
| 178606 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071779.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071779.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071779.cif |
| 44034 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071778, 4071779 via cif-deposit CGI script. |
4071779.cif |
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Users of the data should acknowledge the original authors of the
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