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Information card for entry 4108199
Preview
Coordinates | 4108199.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@@]21[C@@](COC2=O)(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 | 9.801 ± 0.002 Å |
b | 6.4441 ± 0.0013 Å |
c | 21.491 ± 0.004 Å |
α | 90° |
β | 97.21 ± 0.03° |
γ | 90° |
Cell volume | 1346.6 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.089 |
Residual factor for significantly intense reflections | 0.0625 |
Weighted residual factors for significantly intense reflections | 0.1247 |
Weighted residual factors for all reflections included in the refinement | 0.1346 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178827 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/81. |
4108199.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108199.cif |
56536 | 2012-05-11 | cif/ Adding structures of 4108199 via cif-deposit CGI script. |
4108199.cif |
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Users of the data should acknowledge the original authors of the
structural data.