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Information card for entry 4029063
Preview
Coordinates | 4029063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H18 O2 |
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Calculated formula | C24 H18 O2 |
SMILES | O=C(c1ccccc1)CC1C(=C\c2ccccc2)/C(=O)c2c1cccc2 |
Title of publication | Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones. |
Authors of publication | Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 1 |
Pages of publication | 204 - 212 |
a | 14.712 ± 0.003 Å |
b | 5.8398 ± 0.0014 Å |
c | 20.996 ± 0.006 Å |
α | 90° |
β | 105.27 ± 0.03° |
γ | 90° |
Cell volume | 1740.2 ± 0.8 Å3 |
Cell temperature | 293 ± 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 | 0.1882 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.1987 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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