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Information card for entry 4105008
Preview
Coordinates | 4105008.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H24 O5 |
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Calculated formula | C18 H24 O5 |
SMILES | [C@@H]12C(=C(C)C)[C@H]3[C@](C=C1)(CC(C3)(C(=O)OCC)C(=O)OCC)O2 |
Title of publication | Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways |
Authors of publication | Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 13020 - 13030 |
a | 8.2327 ± 0.0003 Å |
b | 10.0262 ± 0.0003 Å |
c | 20.8923 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1724.51 ± 0.1 Å3 |
Cell temperature | 446 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0532 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4105008.html
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Users of the data should acknowledge the original authors of the
structural data.