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Information card for entry 1542626
Preview
| Coordinates | 1542626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H27 N3 O5 |
|---|---|
| Calculated formula | C29 H27 N3 O5 |
| SMILES | O=C1N(c2c3C1=CC(N(c3ccc2)C(=O)OCC)(NC(=O)OCC)c1ccccc1)Cc1ccccc1 |
| Title of publication | Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides. |
| Authors of publication | Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1486 - 1489 |
| a | 13.4022 ± 0.0009 Å |
| b | 10.939 ± 0.0006 Å |
| c | 16.5069 ± 0.0011 Å |
| α | 90° |
| β | 91.481 ± 0.004° |
| γ | 90° |
| Cell volume | 2419.2 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542626.cif |
| 181452 | 2016-04-04 | cif/ Updating files of 1542621, 1542622, 1542623, 1542624, 1542625, 1542626 Original log message: Adding full bibliography for 1542621--1542626.cif. |
1542626.cif |
| 177211 | 2016-03-04 | cif/ Adding structures of 1542626 via cif-deposit CGI script. |
1542626.cif |
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Users of the data should acknowledge the original authors of the
structural data.