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Information card for entry 4025700
Preview
Coordinates | 4025700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 N O6 |
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Calculated formula | C16 H19 N O6 |
SMILES | C1(=O)C[C@@H]([C@H]([C@@H](CC)OC(=O)c2ccc(cc2)N(=O)=O)O1)CC |
Title of publication | Synthesis of the Sponge-Derived Plakortone Series of Bioactive Compounds |
Authors of publication | Patricia Y. Hayes; Sharon Chow; Fredrik Rahm; Paul V. Bernhardt; James J. De Voss; William Kitching |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 6489 - 6501 |
a | 14.93 ± 0.001 Å |
b | 6.9429 ± 0.0005 Å |
c | 15.804 ± 0.001 Å |
α | 90° |
β | 90.334 ± 0.007° |
γ | 90° |
Cell volume | 1638.18 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0738 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation probe | x-ray |
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/4025700.html
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Users of the data should acknowledge the original authors of the
structural data.