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Information card for entry 4021580
Preview
Coordinates | 4021580.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 O6 |
---|---|
Calculated formula | C18 H18 O6 |
SMILES | O1[C@@]23C(=O)c4ccccc4C(=O)[C@@]12[C@@H](OC3)CC(=O)OC(C)(C)C.O1[C@]23C(=O)c4ccccc4C(=O)[C@]12[C@H](OC3)CC(=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 | 15.2133 ± 0.0014 Å |
b | 11.0199 ± 0.001 Å |
c | 10.072 ± 0.002 Å |
α | 90° |
β | 100.85 ± 0.012° |
γ | 90° |
Cell volume | 1658.4 ± 0.4 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1911 |
Weighted residual factors for all reflections included in the refinement | 0.2003 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021580.html
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