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Information card for entry 1508649
Preview
Coordinates | 1508649.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H18 O4 |
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Calculated formula | C22 H18 O4 |
SMILES | [C@H]1(C(=Cc2cccc3c2[C@]21[C@@]1(c4c(cccc4C=C([C@H]1O)C)O2)O3)C)O.[C@@H]1(C(=Cc2cccc3c2[C@@]21[C@]1(c4c(cccc4C=C([C@@H]1O)C)O2)O3)C)O |
Title of publication | Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones. |
Authors of publication | Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 18 |
Pages of publication | 4862 - 4865 |
a | 12.1645 ± 0.0013 Å |
b | 6.6205 ± 0.0006 Å |
c | 20.4873 ± 0.0017 Å |
α | 90° |
β | 102.566 ± 0.005° |
γ | 90° |
Cell volume | 1610.4 ± 0.3 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 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 | 0.0486 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1508649.html
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