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Information card for entry 4108200
Preview
Coordinates | 4108200.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 O4 |
---|---|
Calculated formula | C31 H38 O4 |
SMILES | O1[C@]2([C@@H]3C(=CC[C@H]([C@@H]3[C@H]2C(=O)[C@]21C(=O)OC[C@]2(C)C=C)[C@H](C)CCC=C(C)C)C)c1ccccc1 |
Title of publication | Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof |
Authors of publication | K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11114 - 11121 |
a | 6.9407 ± 0.0014 Å |
b | 10.272 ± 0.002 Å |
c | 19.15 ± 0.004 Å |
α | 99.51 ± 0.03° |
β | 90.95 ± 0.03° |
γ | 99.87 ± 0.03° |
Cell volume | 1325.2 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1242 |
Residual factor for significantly intense reflections | 0.0855 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4108200.html
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Users of the data should acknowledge the original authors of the
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