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Information card for entry 4134426
Preview
Coordinates | 4134426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H25 N3 O |
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Calculated formula | C16 H25 N3 O |
SMILES | O=C(N/N=C/C1=C[C@]2([C@H]3[C@@]1(CC[C@@H]([C@@H]3CC2)C)C)C)N |
Title of publication | Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis. |
Authors of publication | Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 12 |
Pages of publication | 5894 - 5900 |
a | 20.475 ± 0.002 Å |
b | 7.6092 ± 0.0008 Å |
c | 12.4167 ± 0.0013 Å |
α | 90° |
β | 124.988 ± 0.002° |
γ | 90° |
Cell volume | 1584.9 ± 0.3 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 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 | 0.028 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4134426.html
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Users of the data should acknowledge the original authors of the
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