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Information card for entry 4033483
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Coordinates | 4033483.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H22 Br N3 O3 |
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Calculated formula | C23 H22 Br N3 O3 |
SMILES | Brc1ccc([C@H]2[C@@H](N[C@@H]([C@@H]2C(=O)n2nccc2)c2ccccc2)C(=O)OCC)cc1 |
Title of publication | (R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions. |
Authors of publication | Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 4 |
Pages of publication | 2293 - 2308 |
a | 5.6523 ± 0.0001 Å |
b | 17.3959 ± 0.0004 Å |
c | 21.5001 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2114.04 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/4033483.html
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