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Information card for entry 1556138
Preview
Coordinates | 1556138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H20 O5 |
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Calculated formula | C17 H20 O5 |
SMILES | O(C(=O)C(C1=CC(=O)[C@H]2[C@@]1(CCCC2)C=C=C)C(=O)OC)C.O(C(=O)C(C1=CC(=O)[C@@H]2[C@]1(CCCC2)C=C=C)C(=O)OC)C |
Title of publication | A simple metal-promoted three-step access to n/5/m angular carbocyclic systems. |
Authors of publication | Barluenga, José; Álvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Ángel L; Tomás, Miguel |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 3 |
Pages of publication | 488 - 491 |
a | 8.39 ± 0.003 Å |
b | 9.844 ± 0.002 Å |
c | 10.32 ± 0.002 Å |
α | 76.55 ± 0.02° |
β | 79.16 ± 0.02° |
γ | 89.73 ± 0.02° |
Cell volume | 813.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1364 |
Residual factor for significantly intense reflections | 0.0761 |
Weighted residual factors for significantly intense reflections | 0.2116 |
Weighted residual factors for all reflections included in the refinement | 0.2523 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54184 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/1556138.html
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