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Information card for entry 1529508
Preview
Coordinates | 1529508.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H16 O2 |
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Calculated formula | C19 H16 O2 |
SMILES | O=C(C1([C@@H](C1)C=C)C(=O)c1ccccc1)c1ccccc1 |
Title of publication | Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes |
Authors of publication | Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 12 |
Pages of publication | 7034 |
a | 14.3185 ± 0.001 Å |
b | 8.9738 ± 0.0006 Å |
c | 11.7148 ± 0.0008 Å |
α | 90° |
β | 91.675 ± 0.003° |
γ | 90° |
Cell volume | 1504.61 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0233 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0593 |
Weighted residual factors for all reflections included in the refinement | 0.0594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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