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Information card for entry 4032449
Preview
Coordinates | 4032449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H24 N2 O3 S |
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Calculated formula | C29 H24 N2 O3 S |
SMILES | S(c1ccccc1)C[C@@]1([C@H](c2ccccc2)[C@@]2(N(C=Cc3c2cccc3)C1=O)C#N)C(=O)OCC.S(c1ccccc1)C[C@]1([C@@H](c2ccccc2)[C@]2(N(C=Cc3c2cccc3)C1=O)C#N)C(=O)OCC |
Title of publication | Controllable Diastereodivergent Synthesis of Pyrrolo[2,1-a]isoquinolines via Catalytic Intramolecular Acylsulfenylation of Activated Alkenes. |
Authors of publication | Liu, Wei; Du, Shan-Tao; Wang, Shu-Yue; Liao, Wei-Wei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 9 |
Pages of publication | 4829 - 4839 |
a | 14.3911 ± 0.0014 Å |
b | 10.3957 ± 0.001 Å |
c | 18.5711 ± 0.0014 Å |
α | 90° |
β | 119.604 ± 0.005° |
γ | 90° |
Cell volume | 2415.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0842 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1439 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
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/4032449.html
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Users of the data should acknowledge the original authors of the
structural data.