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Information card for entry 4105007
Preview
Coordinates | 4105007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O2 |
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Calculated formula | C15 H24 O2 |
SMILES | C1(C[C@H]2C(=C(C)C)CC=C[C@@H]2CC1)(CO)CO.C1(C[C@@H]2C(=C(C)C)CC=C[C@H]2CC1)(CO)CO |
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 | 13.2005 ± 0.0006 Å |
b | 16.7409 ± 0.0009 Å |
c | 5.9633 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1317.82 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105007.html
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