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Information card for entry 4109255
Preview
Coordinates | 4109255.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H26 O10 |
---|---|
Calculated formula | C32 H26 O10 |
SMILES | c1(cc(cc2c1C(=O)C1C(=O)CC[C@H](C=1C2=O)[C@H]1C2=C(C(=O)CC1)C(=O)c1c(cc(cc1C2=O)OC)OC)OC)OC.c1(cc(cc2c1C(=O)C1C(=O)CC[C@@H](C=1C2=O)[C@@H]1C2=C(C(=O)CC1)C(=O)c1c(cc(cc1C2=O)OC)OC)OC)OC |
Title of publication | Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin |
Authors of publication | K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 4001 - 4013 |
a | 9.3701 ± 0.0019 Å |
b | 20.283 ± 0.004 Å |
c | 14.007 ± 0.003 Å |
α | 90° |
β | 108.28 ± 0.03° |
γ | 90° |
Cell volume | 2527.7 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1874 |
Residual factor for significantly intense reflections | 0.0808 |
Weighted residual factors for significantly intense reflections | 0.1611 |
Weighted residual factors for all reflections included in the refinement | 0.2145 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
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/4109255.html
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Users of the data should acknowledge the original authors of the
structural data.