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Information card for entry 1506046
Preview
Coordinates | 1506046.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H32 O3 Si |
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Calculated formula | C20 H32 O3 Si |
SMILES | [Si](O[C@H]1[C@]2(CC[C@@H]3CC(=O)C=C23)[C@@](O)(CC1)C=C)(C)(C)C(C)(C)C.[Si](O[C@@H]1[C@@]2(CC[C@H]3CC(=O)C=C23)[C@](O)(CC1)C=C)(C)(C)C(C)(C)C |
Title of publication | A Pauson-Khand and ring-expansion approach to the aquariane ring system. |
Authors of publication | Thornton, Paul D.; Burnell, D. Jean |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3195 - 3198 |
a | 8.0128 ± 0.0008 Å |
b | 17.9993 ± 0.0019 Å |
c | 14.4781 ± 0.0015 Å |
α | 90° |
β | 100.899 ± 0.002° |
γ | 90° |
Cell volume | 2050.4 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0744 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1613 |
Weighted residual factors for all reflections included in the refinement | 0.1733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 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/1506046.html
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Users of the data should acknowledge the original authors of the
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