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Information card for entry 7213136
Preview
Coordinates | 7213136.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 O4 |
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Calculated formula | C20 H18 O4 |
SMILES | C1(=O)O[C@@](CC1)([C@]1(CCC(=O)O1)c1ccccc1)c1ccccc1 |
Title of publication | Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides |
Authors of publication | Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 1999 |
Journal issue | 10 |
Pages of publication | 2029 |
a | 9.497 ± 0.001 Å |
b | 8.421 ± 0.001 Å |
c | 10.087 ± 0.001 Å |
α | 90° |
β | 95.91 ± 0.01° |
γ | 90° |
Cell volume | 802.41 ± 0.15 Å3 |
Cell temperature | 294 ± 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 | 0.0371 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for all reflections | 0.0818 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Goodness-of-fit parameter for all reflections | 1.123 |
Goodness-of-fit parameter for significantly intense reflections | 1.153 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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