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Information card for entry 1542373
Preview
| Coordinates | 1542373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 N2 O3 |
|---|---|
| Calculated formula | C24 H18 N2 O3 |
| SMILES | O=C(OC)c1cc2N=CC(O)(c3ccccc3)c3n(c4c(cccc4)c3)c2cc1 |
| Title of publication | Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction. |
| Authors of publication | Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 316 - 319 |
| a | 10.8282 ± 0.0006 Å |
| b | 8.7931 ± 0.0004 Å |
| c | 19.9988 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1904.15 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 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. |
1542373.cif |
| 175734 | 2016-02-04 | cif/ Adding structures of 1542373 via cif-deposit CGI script. |
1542373.cif |
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Users of the data should acknowledge the original authors of the
structural data.