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Information card for entry 4037346
Preview
Coordinates | 4037346.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H21 I O5 |
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Calculated formula | C15 H21 I O5 |
SMILES | ICC[C@@H](C)[C@]1(C(=O)OC)CC[C@H]2C(=O)OC[C@]2(C1=O)C |
Title of publication | Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes. |
Authors of publication | Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 22 |
Pages of publication | 11017 - 11034 |
a | 6.2741 ± 0.0008 Å |
b | 13.1986 ± 0.0016 Å |
c | 19.138 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1584.8 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.0942 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for all reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.0546 |
Weighted residual factors for all reflections included in the refinement | 0.0541 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0854 |
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/4037346.html
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Users of the data should acknowledge the original authors of the
structural data.