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Information card for entry 1555360
Preview
| Coordinates | 1555360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H30 N2 O4 S2 |
|---|---|
| Calculated formula | C38 H30 N2 O4 S2 |
| SMILES | S(=O)(=O)(N1C(C2=C(c3c(n(S(=O)(=O)c4ccc(C)cc4)c4c3cccc4)C2)c2c1cccc2)c1ccccc1)c1ccc(C)cc1 |
| Title of publication | One-Pot Relay Gold(I) and Brønsted Acid Catalysis: Cyclopenta[b]annulation of Indoles via Hydroamination/Nazarov-Type Cyclization Cascade of Enynols. |
| Authors of publication | Dhiman, Seema; Ramasastry, S. S. V. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 5116 - 5119 |
| a | 9.37 ± 0.003 Å |
| b | 12.582 ± 0.004 Å |
| c | 14.702 ± 0.004 Å |
| α | 90.83 ± 0.003° |
| β | 105.888 ± 0.003° |
| γ | 110.831 ± 0.003° |
| Cell volume | 1546 ± 0.8 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555360.cif |
| 238549 | 2019-11-24 | cif/ Adding structures of 1555360 via cif-deposit CGI script. |
1555360.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.