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Information card for entry 4037345
Preview
Coordinates | 4037345.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H20 O6 |
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Calculated formula | C14 H20 O6 |
SMILES | [C@@]12([C@@H](C[C@@H](C)[C@]1(C(=O)OC)CC[C@H]1C(=O)OC[C@@H]21)O)O |
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 | 8.7432 ± 0.0005 Å |
b | 12.2122 ± 0.0007 Å |
c | 12.7131 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1357.42 ± 0.14 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 3 |
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 | 0.0399 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for all reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.0339 |
Weighted residual factors for all reflections included in the refinement | 0.0321 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0609 |
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/4037345.html
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Users of the data should acknowledge the original authors of the
structural data.