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Information card for entry 7218374
Preview
Coordinates | 7218374.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H21 N O6 |
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Calculated formula | C20 H21 N O6 |
SMILES | c12ccccc1[C@@H](C(=O)N2)[C@@H]1CC(=C\C(=O)OCC)/O/C1=C/C(=O)OCC.c12ccccc1[C@H](C(=O)N2)[C@H]1CC(=C\C(=O)OCC)/O/C1=C/C(=O)OCC |
Title of publication | Convenient Synthesis of Substituted Tetrahydrofuran via Lewis Base Catalyzed [3+2] Domino Reactions |
Authors of publication | Meng, Xiangtai; Liu, yufen; Zhang, qi; Du, yanlong; Yu, aimin; Zhang, Kui |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 5.5637 ± 0.0011 Å |
b | 12.141 ± 0.002 Å |
c | 13.461 ± 0.003 Å |
α | 71.91 ± 0.03° |
β | 87.24 ± 0.03° |
γ | 82.88 ± 0.03° |
Cell volume | 857.6 ± 0.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7218374.html
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Users of the data should acknowledge the original authors of the
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