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Information card for entry 7205003
Preview
Coordinates | 7205003.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 O7 |
---|---|
Calculated formula | C18 H22 O7 |
SMILES | C1(=O)C(=C([C@H]2[C@H](C(=C[C@@H]([C@@H]12)C(=O)O)CC)C(=O)OC)CC)C(=O)OC.C1(=O)C(=C([C@@H]2[C@@H](C(=C[C@H]([C@H]12)C(=O)O)CC)C(=O)OC)CC)C(=O)OC |
Title of publication | Exploitation of chemical predisposition in synthesis: an approach to the manzamenones |
Authors of publication | Al-Busafi, Saleh; Doncaster, Jeremy R.; Drew, Michael G. B.; Regan, Andrew C.; Whitehead, Roger C. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2002 |
Journal issue | 4 |
Pages of publication | 476 |
a | 11.628 ± 0.013 Å |
b | 11.417 ± 0.012 Å |
c | 14.112 ± 0.015 Å |
α | 90° |
β | 101.4 ± 0.01° |
γ | 90° |
Cell volume | 1837 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1905 |
Residual factor for significantly intense reflections | 0.0897 |
Weighted residual factors for significantly intense reflections | 0.2198 |
Weighted residual factors for all reflections included in the refinement | 0.2623 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
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/7205003.html
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Users of the data should acknowledge the original authors of the
structural data.