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Information card for entry 4033804
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Coordinates | 4033804.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 3o |
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Formula | C13 H14 O4 |
Calculated formula | C13 H14 O4 |
SMILES | o1c2c(c(C)cc(O)c2C)c(C(=O)OC)c1C |
Title of publication | Metal and Oxidant-Free Brønsted Acid-Mediated Cascade Reaction to Substituted Benzofurans. |
Authors of publication | Mari, Giacomo; Ciccolini, Cecilia; De Crescentini, Lucia; Favi, Gianfranco; Santeusanio, Stefania; Mancinelli, Michele; Mantellini, Fabio |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 17 |
Pages of publication | 10814 - 10824 |
a | 13.7963 ± 0.0018 Å |
b | 18.445 ± 0.003 Å |
c | 9.0679 ± 0.0012 Å |
α | 90° |
β | 102.076 ± 0.002° |
γ | 90° |
Cell volume | 2256.5 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.1309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/4033804.html
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