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Information card for entry 4021579
Preview
Coordinates | 4021579.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 O7 |
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Calculated formula | C23 H28 O7 |
SMILES | O1[C@@](C=C2C(=O)c3ccccc3C3([C@@H]2C1)OCC(CO3)(C)C)(O)C(=O)OC(C)(C)C.O1[C@](C=C2C(=O)c3ccccc3C3([C@H]2C1)OCC(CO3)(C)C)(O)C(=O)OC(C)(C)C |
Title of publication | Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems |
Authors of publication | David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 2434 - 2444 |
a | 9.671 ± 0.003 Å |
b | 10.877 ± 0.004 Å |
c | 11.586 ± 0.004 Å |
α | 87.23 ± 0.03° |
β | 84.82 ± 0.03° |
γ | 69.79 ± 0.03° |
Cell volume | 1138.8 ± 0.6 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 | 0.0963 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1972 |
Weighted residual factors for all reflections included in the refinement | 0.2168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4021579.html
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