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Information card for entry 4029959
Preview
Coordinates | 4029959.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H45 N O5 S Si |
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Calculated formula | C29 H45 N O5 S Si |
SMILES | [C@]1(C[C@H](C[C@@H](CC[C@@H](C#C)C)O1)O[Si](C)(C)C(C)(C)C)([C@H]1CSC(=O)N1Cc1ccc(cc1)OC)OC |
Title of publication | Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route. |
Authors of publication | Williams, Brett D.; Smith, 3rd, Amos B |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 19 |
Pages of publication | 9284 - 9296 |
a | 7.9222 ± 0.0004 Å |
b | 9.853 ± 0.0004 Å |
c | 20.0514 ± 0.001 Å |
α | 90° |
β | 92.404 ± 0.002° |
γ | 90° |
Cell volume | 1563.78 ± 0.13 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4029959.html
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Users of the data should acknowledge the original authors of the
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