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Information card for entry 7155838
Preview
Coordinates | 7155838.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H25 N3 O10 |
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Calculated formula | C22 H25 N3 O10 |
SMILES | c1c(cccc1[C@H]1[C@](C#N)(C(=O)OCC)[C@](C(=O)OC)(CC(=O)OC)N[C@@H]1C(=O)OCC)N(=O)=O.c1c(cccc1[C@@H]1[C@@](C#N)(C(=O)OCC)[C@@](C(=O)OC)(CC(=O)OC)N[C@H]1C(=O)OCC)N(=O)=O |
Title of publication | Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction |
Authors of publication | Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo |
Journal of publication | Org. Biomol. Chem. |
Year of publication | 2017 |
a | 8.2529 ± 0.0011 Å |
b | 10.4792 ± 0.0014 Å |
c | 14.724 ± 0.002 Å |
α | 90.68 ± 0.005° |
β | 97.661 ± 0.005° |
γ | 108.073 ± 0.004° |
Cell volume | 1197.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0981 |
Residual factor for significantly intense reflections | 0.0699 |
Weighted residual factors for significantly intense reflections | 0.189 |
Weighted residual factors for all reflections included in the refinement | 0.2114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/7155838.html
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Users of the data should acknowledge the original authors of the
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