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Information card for entry 4037350
Preview
Coordinates | 4037350.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 Cl O7 |
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Calculated formula | C19 H25 Cl O7 |
SMILES | Cl[C@]1([C@H]2C[C@@]3(C(=CC[C@H]3C)[C@@]1([C@H](O2)OC(=O)C)C)C(=O)OC)C(=O)OCC |
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 | 7.162 ± 0.0005 Å |
b | 12.0359 ± 0.0008 Å |
c | 23.16 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1996.4 ± 0.2 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 | 0.0295 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for all reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0312 |
Weighted residual factors for all reflections included in the refinement | 0.0305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0976 |
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/4037350.html
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