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Information card for entry 1554584
Preview
Coordinates | 1554584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 Br N3 O4 |
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Calculated formula | C22 H20 Br N3 O4 |
SMILES | c1(Br)ccc2c(c1)n1[C@@H]3N(C(=O)OCc4ccccc4)CC[C@@H]3[C@@H](c1c2)CN(=O)=O |
Title of publication | Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence |
Authors of publication | Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 7 |
Pages of publication | 919 |
a | 9.2282 ± 0.0014 Å |
b | 9.1743 ± 0.0014 Å |
c | 12.829 ± 0.002 Å |
α | 90° |
β | 109.724 ± 0.003° |
γ | 90° |
Cell volume | 1022.4 ± 0.3 Å3 |
Cell temperature | 120.15 K |
Ambient diffraction temperature | 120.15 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.839 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554584.html
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