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Information card for entry 4035289
Preview
Coordinates | 4035289.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 N2 O |
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Calculated formula | C19 H28 N2 O |
SMILES | O=C(N1C2=C[C@@H]3C[C@H](C[C@]45N(C[C@H]([C@@]24CCC1)C[C@H]35)C)C)C |
Title of publication | Second-Generation Synthesis of (+)-Fastigiatine Inspired by Conformational Studies. |
Authors of publication | DeForest, Jacob C.; Samame, Renzo A.; Suryn, Gregory; Burtea, Alexander; Rychnovsky, Scott D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 16 |
Pages of publication | 8914 - 8925 |
a | 8.3394 ± 0.0007 Å |
b | 8.791 ± 0.0007 Å |
c | 22.1495 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1623.8 ± 0.2 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4035289.html
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