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Information card for entry 4026171
Preview
Coordinates | 4026171.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H25 N O S |
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Calculated formula | C18 H25 N O S |
SMILES | S(c1ccccc1)[C@]12[C@H](NCC1)[C@]1([C@@H](O)CCC1)CCC2.S(c1ccccc1)[C@@]12[C@@H](NCC1)[C@@]1([C@H](O)CCC1)CCC2 |
Title of publication | Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry |
Authors of publication | Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 2360 - 2366 |
a | 17.3324 ± 0.0008 Å |
b | 17.3324 ± 0.0008 Å |
c | 10.8249 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3251.9 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
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/4026171.html
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Users of the data should acknowledge the original authors of the
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