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Information card for entry 4021578
Preview
Coordinates | 4021578.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H27 N O6 |
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Calculated formula | C21 H27 N O6 |
SMILES | O1[C@H]([C@@H]2/C(=N\O)c3ccccc3C3([C@@H]2C1)OCC(CO3)(C)C)CC(=O)OCC.O1[C@@H]([C@H]2/C(=N\O)c3ccccc3C3([C@H]2C1)OCC(CO3)(C)C)CC(=O)OCC |
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 | 9.5017 ± 0.0006 Å |
b | 9.8087 ± 0.0009 Å |
c | 11.8467 ± 0.0013 Å |
α | 92.425 ± 0.014° |
β | 98.361 ± 0.009° |
γ | 113.223 ± 0.009° |
Cell volume | 997.81 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1274 |
Weighted residual factors for all reflections included in the refinement | 0.1347 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4021578.html
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