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Information card for entry 4108205
Preview
Coordinates | 4108205.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H40 O5 |
---|---|
Calculated formula | C31 H40 O5 |
SMILES | O1[C@]2([C@@H]3C(=CC[C@H]([C@@H]3[C@H]2[C@@]2(OCC[C@@]3([C@]12C(=O)OC3)C)O)[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 | 9.6153 ± 0.0019 Å |
b | 11.973 ± 0.002 Å |
c | 23.881 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2749.3 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1153 |
Residual factor for significantly intense reflections | 0.0726 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108205.html
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