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Information card for entry 4106974
Preview
Coordinates | 4106974.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H45 Br O5 Si |
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Calculated formula | C28 H45 Br O5 Si |
SMILES | Br[C@H]1C(=O)C[C@H]([C@@H]1[C@@]1(C(=O)C[C@H]2C(CCCC(=C)[C@@H]12)(C)C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC |
Title of publication | Enantioselective Total Synthesis of Aplyviolene |
Authors of publication | Martin J. Schnermann; Larry E. Overman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 16425 - 16427 |
a | 11.9561 ± 0.0005 Å |
b | 12.5574 ± 0.0005 Å |
c | 23.2405 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3489.3 ± 0.3 Å3 |
Cell temperature | 88 ± 2 K |
Ambient diffraction temperature | 88 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0558 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1417 |
Weighted residual factors for all reflections included in the refinement | 0.1466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/4106974.html
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Users of the data should acknowledge the original authors of the
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