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Information card for entry 1506113
Preview
Coordinates | 1506113.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 N O3 |
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Calculated formula | C19 H25 N O3 |
SMILES | O(C(=O)N1c2c(cc(c3c2[C@@H](C[C@@H]3C)C)C=O)CC1)C(C)(C)C.O(C(=O)N1c2c(cc(c3c2[C@H](C[C@H]3C)C)C=O)CC1)C(C)(C)C |
Title of publication | Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines. |
Authors of publication | Huntley, Raymond J.; Funk, Raymond L. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3403 - 3406 |
a | 9.881 ± 0.003 Å |
b | 8.283 ± 0.003 Å |
c | 20.714 ± 0.007 Å |
α | 90° |
β | 97.71 ± 0.006° |
γ | 90° |
Cell volume | 1680 ± 1 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/1506113.html
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Users of the data should acknowledge the original authors of the
structural data.