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Information card for entry 1555961
Preview
| Coordinates | 1555961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H18 Br N O |
|---|---|
| Calculated formula | C26 H18 Br N O |
| SMILES | Brc1cc2N(c3ccccc3)C(=O)C(c2cc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones. |
| Authors of publication | Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 23 |
| Pages of publication | 6184 - 6187 |
| a | 8.996 ± 0.003 Å |
| b | 9.168 ± 0.004 Å |
| c | 14.637 ± 0.007 Å |
| α | 90.061 ± 0.017° |
| β | 106.475 ± 0.014° |
| γ | 117.452 ± 0.014° |
| Cell volume | 1014.9 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.2398 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.2897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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. |
1555961.cif |
| 239282 | 2019-11-24 | cif/ Adding structures of 1555961 via cif-deposit CGI script. |
1555961.cif |
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Users of the data should acknowledge the original authors of the
structural data.