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Information card for entry 1506146
Preview
Coordinates | 1506146.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H28 O4 |
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Calculated formula | C18 H28 O4 |
SMILES | O1[C@@H](CCC[C@]1([C@H](O)CC(=O)c1occc1)C)CCCCC.O1[C@H](CCC[C@@]1([C@@H](O)CC(=O)c1occc1)C)CCCCC |
Title of publication | Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B. |
Authors of publication | Crawford, Claire; Nelson, Adam; Patel, Ian |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 19 |
Pages of publication | 4231 - 4234 |
a | 20.8896 ± 0.0007 Å |
b | 8.0132 ± 0.0004 Å |
c | 11.049 ± 0.0004 Å |
α | 90° |
β | 111.737 ± 0.003° |
γ | 90° |
Cell volume | 1718.01 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
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/1506146.html
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Users of the data should acknowledge the original authors of the
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