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Information card for entry 4034887
Preview
Coordinates | 4034887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 O4 |
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Calculated formula | C17 H18 O4 |
SMILES | [C@H]1([C@H](Oc2cc(c(cc2C1)OC)OC)c1ccccc1)O.[C@@H]1([C@@H](Oc2cc(c(cc2C1)OC)OC)c1ccccc1)O |
Title of publication | mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles. |
Authors of publication | Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 22 |
Pages of publication | 14110 - 14119 |
a | 8.0587 ± 0.0006 Å |
b | 8.869 ± 0.0007 Å |
c | 10.2746 ± 0.0008 Å |
α | 82.634 ± 0.003° |
β | 75.552 ± 0.003° |
γ | 88.084 ± 0.003° |
Cell volume | 705.26 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4034887.html
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