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Information card for entry 7155835
Preview
Coordinates | 7155835.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 N3 O7 |
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Calculated formula | C21 H23 N3 O7 |
SMILES | c1c(cccc1[C@@H]1C(C#N)(C#N)[C@@](C(=O)OC)(CC(=O)OC)N[C@H]1C(=O)OCC)OC.c1c(cccc1[C@H]1C(C#N)(C#N)[C@](C(=O)OC)(CC(=O)OC)N[C@@H]1C(=O)OCC)OC |
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 | 10.2898 ± 0.0013 Å |
b | 10.3345 ± 0.0013 Å |
c | 10.6805 ± 0.0016 Å |
α | 110.213 ± 0.004° |
β | 92.129 ± 0.004° |
γ | 94.62 ± 0.004° |
Cell volume | 1059.8 ± 0.2 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 | 0.1059 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for significantly intense reflections | 0.1462 |
Weighted residual factors for all reflections included in the refinement | 0.1752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7155835.html
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Users of the data should acknowledge the original authors of the
structural data.