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Information card for entry 4036947
Preview
Coordinates | 4036947.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 Br Cl N2 O2 S |
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Calculated formula | C24 H20 Br Cl N2 O2 S |
SMILES | Brc1ccc(C2CN(S(=O)(=O)c3ccc(cc3)C)c3n(C)c4c(c23)cc(Cl)cc4)cc1 |
Title of publication | A Synthetic Route to Chiral Tetrahydropyrroloindoles via Ring Opening of Activated Aziridines with 2-Bromoindoles Followed by Copper-Catalyzed C-N Cyclization. |
Authors of publication | Sayyad, Masthanvali; Mal, Abhijit; Wani, Imtiyaz Ahmad; Ghorai, Manas K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6424 - 6432 |
a | 14.537 ± 0.005 Å |
b | 10.994 ± 0.005 Å |
c | 15.122 ± 0.005 Å |
α | 90 ± 0.005° |
β | 113.089 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2223.2 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.084 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036947.html
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Users of the data should acknowledge the original authors of the
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