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Information card for entry 7103253
Preview
Coordinates | 7103253.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 15 |
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Formula | C18 H23 N O3 S |
Calculated formula | C18 H23 N O3 S |
SMILES | S(=O)(=O)(N1[C@@H]2C(=CCC[C@H]1CC2)C(=O)CC)c1ccc(cc1)C.S(=O)(=O)(N1[C@H]2C(=CCC[C@@H]1CC2)C(=O)CC)c1ccc(cc1)C |
Title of publication | A two-directional approach to the anatoxin alkaloids: second synthesis of homoanatoxin and efficient synthesis of anatoxin-a. |
Authors of publication | Roe, Stephen J; Stockman, Robert A |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 29 |
Pages of publication | 3432 - 3434 |
a | 8.1977 ± 0.0005 Å |
b | 17.9533 ± 0.0011 Å |
c | 11.3881 ± 0.0008 Å |
α | 90° |
β | 97.878 ± 0.005° |
γ | 90° |
Cell volume | 1660.23 ± 0.18 Å3 |
Cell temperature | 140 ± 1 K |
Ambient diffraction temperature | 140 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
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/7103253.html
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