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Information card for entry 4071778
Preview
| Coordinates | 4071778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H25 N O3 Si |
|---|---|
| Calculated formula | C23 H25 N O3 Si |
| SMILES | [Si](C(c1c2c(n(c3c2cccc3)C)c2c(c1OC)[C@H]1OCC[C@@H]21)=C=O)(C)(C)C.[Si](C(c1c2c(n(c3c2cccc3)C)c2c(c1OC)[C@@H]1OCC[C@H]21)=C=O)(C)(C)C |
| 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 | 9.553 ± 0.005 Å |
| b | 10.856 ± 0.004 Å |
| c | 11.584 ± 0.004 Å |
| α | 88.33 ± 0.03° |
| β | 69.67 ± 0.04° |
| γ | 66.19 ± 0.04° |
| Cell volume | 1022 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0993 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4071778.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071778.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071778.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071778.cif |
| 44034 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071778, 4071779 via cif-deposit CGI script. |
4071778.cif |
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