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Information card for entry 4124338
Preview
Coordinates | 4124338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H51 B O5 Si |
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Calculated formula | C30 H51 B O5 Si |
SMILES | [Si](OC[C@@]1(CC[C@H](B2OC(C(O2)(C)C)(C)C)[C@@H]1c1cc(cc2OC(OCc12)(C)C)C)C)(C(C)(C)C)(C)C.[Si](OC[C@]1(CC[C@@H](B2OC(C(O2)(C)C)(C)C)[C@H]1c1cc(cc2OC(OCc12)(C)C)C)C)(C(C)(C)C)(C)C |
Title of publication | Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest. |
Authors of publication | Blaisdell, Thomas P.; Morken, James P. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 27 |
Pages of publication | 8712 - 8715 |
a | 7.9136 ± 0.0003 Å |
b | 12.6651 ± 0.0005 Å |
c | 16.0864 ± 0.0006 Å |
α | 97.994 ± 0.002° |
β | 103.127 ± 0.002° |
γ | 94.286 ± 0.002° |
Cell volume | 1545.42 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4124338.html
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Users of the data should acknowledge the original authors of the
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