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Information card for entry 7110205
Preview
Coordinates | 7110205.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 O3 |
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Calculated formula | C20 H22 O3 |
SMILES | O1[C@@]([C@@H](OC(=O)C)c2c1cccc2)(c1ccccc1)CCCC.O1[C@]([C@H](OC(=O)C)c2c1cccc2)(c1ccccc1)CCCC |
Title of publication | Synthesis of dihydrobenzo[b]furans by diastereoselective acyloxyarylation |
Authors of publication | Kazuhiro Hata; Zhiheng He; Constantin Gabriel Daniliuc; Kenichiro Itami; Armido Studer |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 463 |
a | 12.9968 ± 0.0001 Å |
b | 13.4352 ± 0.0001 Å |
c | 10.0076 ± 0.0001 Å |
α | 90° |
β | 101.394 ± 0.001° |
γ | 90° |
Cell volume | 1713.03 ± 0.03 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0495 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7110205.html
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