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Information card for entry 7109133
Preview
Coordinates | 7109133.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | SVG447 |
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Formula | C16 H20 O5 |
Calculated formula | C16 H20 O5 |
SMILES | COc1ccc(c2c1[C@@]1(CCCC[C@@]1(CC2=O)O)O)OC.COc1ccc(c2c1[C@]1(CCCC[C@]1(CC2=O)O)O)OC |
Title of publication | Model studies towards the challenging angularly-oxygenated core of several angucyclinones from an oxidative dearomatization strategy |
Authors of publication | Silvia Vila-Gisbert; Antonio Urbano; M. Carmen Carreno |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 3561 |
a | 7.3105 ± 0.0002 Å |
b | 12.5653 ± 0.0003 Å |
c | 16.0454 ± 0.0004 Å |
α | 90° |
β | 102.043 ± 0.001° |
γ | 90° |
Cell volume | 1441.47 ± 0.06 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1329 |
Weighted residual factors for all reflections included in the refinement | 0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7109133.html
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